Geometry & MOs

Info

ID:	172951
PubChem CID:	75575859
Reduced:	NSCl2O4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	323.093977
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	7.58
IP(EA), eV:	-9.74(-1.54)
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] 1-methylimidazole-4-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=C(C=CC=C2Cl)Cl)C(C)C

DOS

IR

Vibrations