Geometry & MOs

Info

ID:	413688
PubChem CID:	135086637
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	3.59
IP(EA), eV:	-10.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(3-diazo-1,5-dimethylindol-2-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C#CC[C@H](COCC=C)O

DOS

IR

Vibrations