Geometry & MOs

Info

ID:	376662
PubChem CID:	134222685
Reduced:	NSF2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	261.099892
ΔH_f, kcal/mol:	-146.52
Dipole, Da:	6.63
IP(EA), eV:	-9.34(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-difluoro-4-methylphenyl)propylimino-dimethyl-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)/C=C/C(=O)N=S(=O)(C)C)F

DOS

IR

Vibrations