Geometry & MOs

Info

ID:	371877
PubChem CID:	131276712
Reduced:	BrINOH5C6 (1)
Stoich.:	ABCDE5F6 (1)
Weight, g/mol:	278.956848
ΔH_f, kcal/mol:	-13.14
Dipole, Da:	1.69
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-4-(difluoromethyl)-2-formylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1O)I)Br)N

DOS

IR

Vibrations