Geometry & MOs

Info

ID:	399774
PubChem CID:	135042514
Reduced:	ClO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	584.176979
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	6.35
IP(EA), eV:	-9.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1'-methyl-1-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-6-phenylspiro[3H-pyridine-4,3'-indole]-2,2'-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C=O)OCC#C

DOS

IR

Vibrations