Geometry & MOs

Info

ID:	7488
PubChem CID:	73116
Reduced:	Br4N4O9C24H24 (1)
Stoich.:	A4B4C9D24E24 (1)
Weight, g/mol:	831.82358
ΔH_f, kcal/mol:	-200.59
Dipole, Da:	2.34
IP(EA), eV:	-9.57(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-7,9-dibromo-N-[4-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=C([C@@H](C2(CC(=NO2)C(=O)NCCC(=O)CNC(=O)C3=NOC4(C3)C=C(C(=C([C@@H]4O)Br)OC)Br)C=C1Br)O)Br

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=C([C@@H](C2(CC(=NO2)C(=O)NCCC(=O)CNC(=O)C3=NOC4(C3)C=C(C(=C([C@@H]4O)Br)OC)Br)C=C1Br)O)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):