Geometry & MOs

Info

ID:	414006
PubChem CID:	135086959
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	326.083747
ΔH_f, kcal/mol:	-117.01
Dipole, Da:	3.18
IP(EA), eV:	-8.33(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(3-diazo-1-methylindol-2-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C(=O)CCC1(C)C2=C(C=CC(=C2)OC)OC)C

DOS

IR

Vibrations