Geometry & MOs

Info

ID:

182925

PubChem CID:

76955882

Reduced:

N2O5C36H44 (1)

Stoich.:

A2B5C36D44 (1)

Weight, g/mol:

556.161244

ΔHf, kcal/mol:

-158.14

Dipole, Da:

1.99

IP(EA), eV:

 -8.8(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[(4S)-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxy]ethylcarbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=C(C=C1)O)NC[C@@H](C2=CC=C(C=C2)O)O[C@H](CN[C@@H](C)CCC3=CC=C(C=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations