Geometry & MOs

Info

ID:

432071

PubChem CID:

135172203

Reduced:

N2O5C27H30 (1)

Stoich.:

A2B5C27D30 (1)

Weight, g/mol:

543.21271

ΔHf, kcal/mol:

-152.12

Dipole, Da:

4.32

IP(EA), eV:

 -8.6(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[(1-methoxycarbonylpiperidin-4-yl)-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)O)NC[C@@H](C2=C3C(=CC(=C2)OCC4=CC=CC=C4)NC(=O)CO3)O

DOS

IR

Vibrations