Geometry & MOs

Info

ID:	221281
PubChem CID:	85267089
Reduced:	BrNC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	369.95245
ΔH_f, kcal/mol:	61.15
Dipole, Da:	1.14
IP(EA), eV:	-9.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)-2-iodoethenyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)C(=C(C1=NC2=CC=CC=C2N=C1)Br)Br

DOS

IR

Vibrations