Geometry & MOs

Info

ID:	393099
PubChem CID:	135019342
Reduced:	NO2H19C20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	535.18173
ΔH_f, kcal/mol:	-28.39
Dipole, Da:	3.56
IP(EA), eV:	-8.65(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-naphthalen-2-ylpiperidin-3-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C)/C1=C(NC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations