Geometry & MOs

Info

ID:	363705
PubChem CID:	127313323
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-131.04
Dipole, Da:	3.82
IP(EA), eV:	-9.31(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CC(CC2=O)C(=O)N(C)CC(=O)NCC3=CC=CS3

DOS

IR

Vibrations