Geometry & MOs

Info

ID:

385108

PubChem CID:

134978332

Reduced:

SN2O6C28H28 (1)

Stoich.:

AB2C6D28E28 (1)

Weight, g/mol:

509.142757

ΔHf, kcal/mol:

-103.0

Dipole, Da:

10.86

IP(EA), eV:

 -9.11(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC[C@H](N([C@H]1C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations