Geometry & MOs

Info

ID:	68427
PubChem CID:	46508390
Reduced:	N2S2O3C21H26 (1)
Stoich.:	A2B2C3D21E26 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	4.53
IP(EA), eV:	-8.77(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3CCCCCC3

DOS

IR

Vibrations