Geometry & MOs

Info

ID:	412926
PubChem CID:	135085863
Reduced:	INO4H6C9 (1)
Stoich.:	ABC4D6E9 (1)
Weight, g/mol:	307.8693
ΔH_f, kcal/mol:	-24.07
Dipole, Da:	6.75
IP(EA), eV:	-10.31(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dibromoethenyl)-4-methylbenzenethiol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)/C=C/I

DOS

IR

Vibrations