Geometry & MOs

Info

ID:	243238
PubChem CID:	99217510
Reduced:	ClN2O2S2C18H27 (1)
Stoich.:	AB2C2D2E18F27 (1)
Weight, g/mol:	439.22712
ΔH_f, kcal/mol:	-98.67
Dipole, Da:	6.03
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-N-butyl-1-[3-[(4-fluorobenzoyl)amino]benzoyl]-6-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CC[C@H](N(C1)C(=O)CSCC2=CC=C(S2)Cl)C

DOS

IR

Vibrations