Geometry & MOs

Info

ID:	129457
PubChem CID:	51072652
Reduced:	FOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	5.32
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylsulfanyl-N-(2-pyridin-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCNC(=O)CCSC2=CC=C(C=C2)F

DOS

IR

Vibrations