Geometry & MOs

Info

ID:

436630

PubChem CID:

135206324

Reduced:

N2O4C33H42 (1)

Stoich.:

A2B4C33D42 (1)

Weight, g/mol:

497.325357

ΔHf, kcal/mol:

-147.22

Dipole, Da:

5.82

IP(EA), eV:

 -8.81(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2-ethyl-5-[5-(2-methylpropoxy)pyridin-2-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC=C(C=C3)OCCC4=CC=CC=C4

DOS

IR

Vibrations