Geometry & MOs

Info

ID:	273038
PubChem CID:	103770369
Reduced:	NSF2O2C10H13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	275.079156
ΔH_f, kcal/mol:	-184.28
Dipole, Da:	6.56
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-5-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC(C(F)F)O)C

DOS

IR

Vibrations