Geometry & MOs

Info

ID:	172952
PubChem CID:	75575860
Reduced:	SN3O4C14H17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	393.080157
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	10.78
IP(EA), eV:	-9.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5-cyclohexyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations