Geometry & MOs

Info

ID:	347517
PubChem CID:	127272372
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-99.59
Dipole, Da:	5.08
IP(EA), eV:	-9.61(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)CC(=O)N(CC2=CC=CC=N2)C3CC3

DOS

IR

Vibrations