Geometry & MOs

Info

ID:	373844
PubChem CID:	131320593
Reduced:	ClNSF3O4H7C8 (1)
Stoich.:	ABCD3E4F7G8 (1)
Weight, g/mol:	314.940233
ΔH_f, kcal/mol:	-291.22
Dipole, Da:	7.9
IP(EA), eV:	-10.38(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-2-methyl-6-(trifluoromethylsulfanyl)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC(F)(F)F)OC)S(=O)(=O)Cl

DOS

IR

Vibrations