Geometry & MOs

Info

ID:

395835

PubChem CID:

135026673

Reduced:

N2O6C27H28 (1)

Stoich.:

A2B6C27D28 (1)

Weight, g/mol:

492.171893

ΔHf, kcal/mol:

-161.52

Dipole, Da:

0.86

IP(EA), eV:

 -8.67(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,3R,4S)-1-(4-methoxyphenyl)-3-methyl-2-(phenylmethoxycarbonylamino)-4-thiophen-2-yl-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)OC)C(=O)OC)C4=CC=CO4

DOS

IR

Vibrations