Geometry & MOs

Info

ID:

179174

PubChem CID:

76445480

Reduced:

N6O9C49H84 (1)

Stoich.:

A6B9C49D84 (1)

Weight, g/mol:

491.162725

ΔHf, kcal/mol:

-521.74

Dipole, Da:

8.3

IP(EA), eV:

 -8.49(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[9-[2-[methyl(methylsulfonyl)amino]phenyl]-6-oxobenzo[b][1,4]benzodiazepin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)NC(CCCCN)C(=O)NCC(=O)NCC(=O)NC(CCCCN)C(=O)O)C

DOS

IR

Vibrations