Geometry & MOs

Info

ID:

334722

PubChem CID:

127253397

Reduced:

N6O7C35H40 (1)

Stoich.:

A6B7C35D40 (1)

Weight, g/mol:

365.104542

ΔHf, kcal/mol:

-127.38

Dipole, Da:

8.56

IP(EA), eV:

 -8.56(-1.08)

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-[(1,1-dioxothiolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCC1=NC(=NO1)C2=CN=CC=C2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations