Geometry & MOs

Info

ID:

427189

PubChem CID:

135155988

Reduced:

ClO2F3N8H16C23 (1)

Stoich.:

AB2C3D8E16F23 (1)

Weight, g/mol:

679.281299

ΔHf, kcal/mol:

-45.14

Dipole, Da:

8.45

IP(EA), eV:

 -9.7(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[[5-chloro-2-methoxy-4-[[2-methyl-3-[2-(1-phenylpiperidin-4-yl)-1,3-benzoxazol-5-yl]phenyl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=NC=CC2=C1C=CC=C2N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N5N=CC=N5)Cl)C(F)(F)F)O

DOS

IR

Vibrations