Geometry & MOs

Info

ID:	334181
PubChem CID:	127252733
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	425.089082
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	2.8
IP(EA), eV:	-8.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC(=C(C=C2CCN1CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)OC)OC)OC

DOS

IR

Vibrations