Geometry & MOs

Info

ID:	172954
PubChem CID:	75575862
Reduced:	SN2O4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-49.54
Dipole, Da:	6.38
IP(EA), eV:	-9.98(-1.58)
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] 3-cyanobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CC=CC(=C2)C#N)C(C)(C)C

DOS

IR

Vibrations