Geometry & MOs

Info

ID:

427177

PubChem CID:

135155877

Reduced:

O3F7N7C33H34 (1)

Stoich.:

A3B7C7D33E34 (1)

Weight, g/mol:

652.314887

ΔHf, kcal/mol:

-382.94

Dipole, Da:

4.4

IP(EA), eV:

 -9.53(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[1-[(5R)-2-amino-5-(4-fluorophenyl)-4-hydroxy-5-(3-methylbutyl)-4H-imidazol-3-yl]-2-cyclopentylethyl]-2-(trifluoromethyl)phenyl]-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC(=C(C=C1)C(F)(F)F)C(=O)N2CCN3C(=NN=C3C(F)(F)F)C2)N4C(=O)[C@](N=C4N)(C[C@@H]5CCOC5)C6=CC=C(C=C6)F

DOS

IR

Vibrations