Geometry & MOs

Info

ID:	172956
PubChem CID:	75575864
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	4.79
IP(EA), eV:	-9.85(-1.43)
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] 1-methylimidazole-4-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2CCCCC2)C(C)C

DOS

IR

Vibrations