Geometry & MOs

Info

ID:	384169
PubChem CID:	134976472
Reduced:	SN2O3H24C30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	532.041519
ΔH_f, kcal/mol:	12.93
Dipole, Da:	11.42
IP(EA), eV:	-8.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-bis(4-chlorophenyl)-8-cyanoindolizin-1-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N3C=CC=C(C3=C2OS(=O)(=O)C4=CC=C(C=C4)C)C#N)C5=CC=C(C=C5)C

DOS

IR

Vibrations