Geometry & MOs

Info

ID:	42367
PubChem CID:	8149480
Reduced:	ClNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	375.151368
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	3.76
IP(EA), eV:	-8.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-chloro-4-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)[C@H]3C[C@@H]3C

DOS

IR

Vibrations