Geometry & MOs

Info

ID:	172955
PubChem CID:	75575863
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	4.67
IP(EA), eV:	-9.91(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] cyclohexanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CC=CC(=C2)C#N)C3CCCCC3

DOS

IR

Vibrations