Geometry & MOs

Info

ID:	413471
PubChem CID:	135086420
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-104.25
Dipole, Da:	5.38
IP(EA), eV:	-9.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H](CC#CC(=O)CO)O

DOS

IR

Vibrations