Geometry & MOs

Info

ID:	384018
PubChem CID:	134976180
Reduced:	ON2H20C28 (1)
Stoich.:	AB2C20D28 (1)
Weight, g/mol:	524.140593
ΔH_f, kcal/mol:	121.03
Dipole, Da:	5.66
IP(EA), eV:	-8.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-cyano-2,3-bis(4-methoxyphenyl)indolizin-1-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C3C(=CC=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N

DOS

IR

Vibrations