Geometry & MOs

Info

ID:	159457
PubChem CID:	57280236
Reduced:	SO3N5C10H19 (1)
Stoich.:	AB3C5D10E19 (1)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	-109.91
Dipole, Da:	2.48
IP(EA), eV:	-9.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

C1CSC(N1)C(=O)OC(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations