Geometry & MOs

Info

ID:

432007

PubChem CID:

135172135

Reduced:

N2O2C11H13 (2)

Stoich.:

A2B2C11D13 (2)

Weight, g/mol:

619.24401

ΔHf, kcal/mol:

19.96

Dipole, Da:

5.42

IP(EA), eV:

 -8.69(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=C(N=CC=C3)C(=O)N=O)[N+](=O)[O-]

DOS

IR

Vibrations