Geometry & MOs

Info

ID:	347163
PubChem CID:	127271704
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-43.87
Dipole, Da:	5.81
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C3=CC(=CC=C3)NC(=O)C4CCS(=O)(=O)C4

DOS

IR

Vibrations