Geometry & MOs

Info

ID:	173837
PubChem CID:	75690383
Reduced:	N2S2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-88.3
Dipole, Da:	8.19
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-1H-indole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C(C)SC

DOS

IR

Vibrations