Geometry & MOs

Info

ID:

427198

PubChem CID:

135156084

Reduced:

OSN2C17H20 (1)

Stoich.:

ABC2D17E20 (1)

Weight, g/mol:

732.271463

ΔHf, kcal/mol:

-17.16

Dipole, Da:

2.6

IP(EA), eV:

 -9.11(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[[5-chloro-2-[(5-cyanopyridin-3-yl)methoxy]-4-[[2-methyl-3-[2-(8-oxabicyclo[3.2.1]octan-3-yl)-1,3-benzoxazol-5-yl]phenyl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC(=O)N3CCCSC3=N2

DOS

IR

Vibrations