Geometry & MOs

Info

ID:

334257

PubChem CID:

127252809

Reduced:

N4O9C41H54 (1)

Stoich.:

A4B9C41D54 (1)

Weight, g/mol:

439.104732

ΔHf, kcal/mol:

-195.07

Dipole, Da:

2.96

IP(EA), eV:

 -8.32(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations