Geometry & MOs

Info

ID:	162455
PubChem CID:	57394715
Reduced:	ClFNO2H15C20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	492.150764
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	5.73
IP(EA), eV:	-9.16(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-cyano-2,3-bis(4-methylphenyl)indolizin-1-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=CC=C(C=C2)F)CC(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations