Geometry & MOs

Info

ID:	373749
PubChem CID:	131319654
Reduced:	ClNSF3O4H7C8 (1)
Stoich.:	ABCD3E4F7G8 (1)
Weight, g/mol:	349.85752
ΔH_f, kcal/mol:	-287.72
Dipole, Da:	10.68
IP(EA), eV:	-10.23(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(difluoromethyl)-6-nitropyridine-4-sulfonyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations