Geometry & MOs

Info

ID:	172950
PubChem CID:	75575858
Reduced:	BrNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	387.009884
ΔH_f, kcal/mol:	-79.95
Dipole, Da:	4.95
IP(EA), eV:	-9.82(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2,6-dichlorobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CC(=CC=C2)Br)C3CCCCC3

DOS

IR

Vibrations