Geometry & MOs

Info

ID:

395837

PubChem CID:

135026675

Reduced:

ClN2O4H27C28 (1)

Stoich.:

AB2C4D27E28 (1)

Weight, g/mol:

470.220557

ΔHf, kcal/mol:

-97.23

Dipole, Da:

2.22

IP(EA), eV:

 -8.9(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,3R,4S)-3-methyl-1-(2-methylphenyl)-4-phenyl-2-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C=C(N([C@H]1NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations