Geometry & MOs

Info

ID:	363420
PubChem CID:	127311223
Reduced:	SN3O4C18H31 (1)
Stoich.:	AB3C4D18E31 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-197.11
Dipole, Da:	1.98
IP(EA), eV:	-9.23(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-1-carbonyl)-N-(quinolin-3-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NCCN2CCS(=O)(=O)CC2)C(=O)N3CCCC3

DOS

IR

Vibrations