Geometry & MOs

Info

ID:	384047
PubChem CID:	134976236
Reduced:	NSSiO6C20H29 (1)
Stoich.:	ABCD6E20F29 (1)
Weight, g/mol:	559.164029
ΔH_f, kcal/mol:	-244.58
Dipole, Da:	3.68
IP(EA), eV:	-8.57(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,6S)-6-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CCN(C1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC[Si](C)(C)C

DOS

IR

Vibrations