Geometry & MOs

Info

ID:	145438
PubChem CID:	53524815
Reduced:	ClSN2O3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	370.175339
ΔH_f, kcal/mol:	-139.12
Dipole, Da:	7.85
IP(EA), eV:	-9.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

DOS

IR

Vibrations