Geometry & MOs

Info

ID:	155434
PubChem CID:	56365452
Reduced:	ClNSF2O3H14C17 (1)
Stoich.:	ABCD2E3F14G17 (1)
Weight, g/mol:	424.233763
ΔH_f, kcal/mol:	-175.19
Dipole, Da:	2.94
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OCC(=O)NC2=C(C(=CC=C2)Cl)SC(F)F

DOS

IR

Vibrations