Geometry & MOs

Info

ID:

336087

PubChem CID:

127255094

Reduced:

N2O2H11C14 (2)

Stoich.:

A2B2C11D14 (2)

Weight, g/mol:

475.233188

ΔHf, kcal/mol:

-84.21

Dipole, Da:

5.02

IP(EA), eV:

 -9.02(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CCN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations