Geometry & MOs

Info

ID:

447043

PubChem CID:

135279774

Reduced:

O2N5H25C28 (1)

Stoich.:

A2B5C25D28 (1)

Weight, g/mol:

499.190734

ΔHf, kcal/mol:

53.02

Dipole, Da:

4.71

IP(EA), eV:

 -9.04(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[[2-fluoro-5-[4-(2-methoxypyridin-4-yl)-2,6-dimethylphenyl]phenyl]methoxy]pyrazin-2-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C2=CC=C(C=C2)C3=C4CC[C@H](C4=CC=C3)NC5=NC=C(N=C5)C6C[C@H]6C(=O)O

DOS

IR

Vibrations