Geometry & MOs

Info

ID:

327341

PubChem CID:

126689595

Reduced:

N2O3F4C33H34 (1)

Stoich.:

A2B3C4D33E34 (1)

Weight, g/mol:

626.240385

ΔHf, kcal/mol:

-264.26

Dipole, Da:

3.06

IP(EA), eV:

 -8.9(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[[(1R)-6-fluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1-[2-(trifluoromethyl)phenyl]-1,3-dihydroisoquinolin-7-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1C2C1C3=CN=C(C=C3C2)OCC4=CC5=C(C=C4F)[C@H](C[C@@H]5C6=CC=CC=C6C(F)(F)F)N(C)C

DOS

IR

Vibrations