Geometry & MOs

Info

ID:

436633

PubChem CID:

135206343

Reduced:

N3O4C29H43 (1)

Stoich.:

A3B4C29D43 (1)

Weight, g/mol:

504.279964

ΔHf, kcal/mol:

-187.64

Dipole, Da:

6.55

IP(EA), eV:

 -9.14(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-(2,3-difluoro-4-propan-2-yloxyphenyl)-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-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=CN=C(C=C3)[C@H](CC(C)C)O

DOS

IR

Vibrations