Geometry & MOs

Info

ID:	394564
PubChem CID:	135023234
Reduced:	NSO2H12C15 (2)
Stoich.:	ABC2D12E15 (2)
Weight, g/mol:	612.07184
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	8.49
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-5'-bromo-1'-methyl-1-(4-methylphenyl)sulfonyl-3,6-diphenylspiro[3H-pyridine-4,3'-indole]-2,2'-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C[C@@]3([C@@H](C2=O)C4=CC=CS4)C5=CC=CC=C5N(C3=O)C)C6=CC=CC=C6

DOS

IR

Vibrations