Geometry & MOs

Info

ID:	432493
PubChem CID:	135172626
Reduced:	FN3O6C27H34 (1)
Stoich.:	AB3C6D27E34 (1)
Weight, g/mol:	888.412535
ΔH_f, kcal/mol:	-245.71
Dipole, Da:	5.52
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-10-N-[[4-[[2,3-bis[[2-(1-ethoxyethylsulfanyl)acetyl]amino]propanoylamino]methyl]phenyl]methyl]-6-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

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

C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC3=CC=C(C=C3)OCCCF)C=C2)C(=O)NO

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

C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC3=CC=C(C=C3)OCCCF)C=C2)C(=O)NO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):