Geometry & MOs

Info

ID:	273014
PubChem CID:	103770325
Reduced:	SF2N2O2C9H12 (1)
Stoich.:	AB2C2D2E9F12 (1)
Weight, g/mol:	309.040184
ΔH_f, kcal/mol:	-175.58
Dipole, Da:	6.96
IP(EA), eV:	-9.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-N-(3,3-difluoro-2-hydroxypropyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)NCC(C(F)F)O

DOS

IR

Vibrations