Geometry & MOs

Info

ID:	384650
PubChem CID:	134977403
Reduced:	SN2O4H24C30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	495.186815
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	11.28
IP(EA), eV:	-8.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-tert-butyl-2,3-diphenylindolizin-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)OC)C#N)C5=CC=C(C=C5)C

DOS

IR

Vibrations