Geometry & MOs

Info

ID:	384749
PubChem CID:	134977608
Reduced:	SN2O6H22C24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	495.127107
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	2.46
IP(EA), eV:	-9.06(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,6S)-2-(3-chlorophenyl)-1-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@@H](N([C@@H]1C2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations