Geometry & MOs

Info

ID:	67692
PubChem CID:	46506977
Reduced:	S2N3O3H31C32 (1)
Stoich.:	A2B3C3D31E32 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-33.9
Dipole, Da:	2.65
IP(EA), eV:	-8.67(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=C(C=C(S3)C4=CC=CC=C4OCC)N=C2SCC(=O)NC5=CC=CC=C5CC

DOS

IR

Vibrations