Geometry & MOs

Info

ID:

431644

PubChem CID:

135171740

Reduced:

N3O4C24H39 (1)

Stoich.:

A3B4C24D39 (1)

Weight, g/mol:

553.233446

ΔHf, kcal/mol:

-191.37

Dipole, Da:

5.48

IP(EA), eV:

 -8.15(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)CCOC)C2=C(C=C(C=C2)C(C)CC(=O)OC)N

DOS

IR

Vibrations