Geometry & MOs

Info

ID:	238206
PubChem CID:	92729791
Reduced:	N3O4H25C27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	459.134969
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	3.37
IP(EA), eV:	-8.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-(4-chlorophenyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)N5CCC[C@@H]5C3=O

DOS

IR

Vibrations