Geometry & MOs

Info

ID:	221838
PubChem CID:	85286195
Reduced:	Br3N3O3C23H28 (1)
Stoich.:	A3B3C3D23E28 (1)
Weight, g/mol:	630.257731
ΔH_f, kcal/mol:	-64.68
Dipole, Da:	6.65
IP(EA), eV:	-8.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 7-benzyl-17-methyl-6-oxo-5-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-2,13,15-trioxa-4,7-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene-4-carboxylate

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

CN(C)CCCOC1=C(C=C(C=C1Br)C2CNC(=O)C(N2)CC3=CC(=C(C=C3)OC)Br)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

CN(C)CCCOC1=C(C=C(C=C1Br)C2CNC(=O)C(N2)CC3=CC(=C(C=C3)OC)Br)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):