Geometry & MOs

Info

ID:

426707

PubChem CID:

135153490

Reduced:

N3O4C21H33 (1)

Stoich.:

A3B4C21D33 (1)

Weight, g/mol:

631.24401

ΔHf, kcal/mol:

-190.42

Dipole, Da:

4.4

IP(EA), eV:

 -8.48(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptan-6-yl]-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)O)N

DOS

IR

Vibrations