Geometry & MOs

Info

ID:	131468
PubChem CID:	51210232
Reduced:	NSF2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	217.037291
ΔH_f, kcal/mol:	-125.05
Dipole, Da:	3.55
IP(EA), eV:	-9.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CO1)SC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations