Geometry & MOs

Info

ID:	172957
PubChem CID:	75575865
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	339.150429
ΔH_f, kcal/mol:	-74.65
Dipole, Da:	11.68
IP(EA), eV:	-9.48(-1.12)
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] cyclohexanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CN(C=N2)C)C3CCCCC3

DOS

IR

Vibrations