Geometry & MOs

Info

ID:	384920
PubChem CID:	134977964
Reduced:	NSO4H23C29 (1)
Stoich.:	ABC4D23E29 (1)
Weight, g/mol:	467.119129
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	8.91
IP(EA), eV:	-8.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-formyl-2,3-diphenylindolizin-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C

DOS

IR

Vibrations