Geometry & MOs

Info

ID:	371936
PubChem CID:	131280989
Reduced:	ClSN2F3O4H6C7 (1)
Stoich.:	ABC2D3E4F6G7 (1)
Weight, g/mol:	294.951763
ΔH_f, kcal/mol:	-296.32
Dipole, Da:	2.26
IP(EA), eV:	-9.85(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-4-(difluoromethoxy)-5-formylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1OC(F)(F)F)N)S(=O)(=O)Cl

DOS

IR

Vibrations