Geometry & MOs

Info

ID:

191333

PubChem CID:

78132762

Reduced:

ClN3O4H22C26 (1)

Stoich.:

AB3C4D22E26 (1)

Weight, g/mol:

683.188861

ΔHf, kcal/mol:

-79.96

Dipole, Da:

9.01

IP(EA), eV:

 -8.92(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)OC(=O)NC2=C(N=CN2C)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations