Geometry & MOs

Info

ID:	172949
PubChem CID:	75575857
Reduced:	NSO4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	437.02964
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	5.97
IP(EA), eV:	-9.8(-1.37)
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-bromobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)ON=C2C=C(C(=O)C=C2C)C(C)C

DOS

IR

Vibrations