Geometry & MOs

Info

ID:	172953
PubChem CID:	75575861
Reduced:	ClNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	358.098728
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	6.85
IP(EA), eV:	-9.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5-tert-butyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-cyanobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CC=CC=C2Cl)C3CCCCC3

DOS

IR

Vibrations