Geometry & MOs

Info

ID:	130867
PubChem CID:	51118938
Reduced:	FOSN3H16C21 (1)
Stoich.:	ABCD3E16F21 (1)
Weight, g/mol:	340.137612
ΔH_f, kcal/mol:	28.18
Dipole, Da:	4.03
IP(EA), eV:	-8.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CN=C2NC(=O)C3=CC=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations