Geometry & MOs

Info

ID:

427137

PubChem CID:

135155680

Reduced:

O2F3N7H28C30 (1)

Stoich.:

A2B3C7D28E30 (1)

Weight, g/mol:

662.185191

ΔHf, kcal/mol:

-95.1

Dipole, Da:

6.53

IP(EA), eV:

 -9.57(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[[(5R)-2-amino-5-(4-fluorophenyl)-5-(4,4,4-trifluorobutyl)-4H-imidazol-3-yl]methyl]-2-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC[C@@]1(C(=O)N(C(=N1)N)CC2=CC(=C(C=C2)C(F)(F)F)C(=O)N3CC4=CN=C(N=C4C3)C#N)C5=CC=CC=C5

DOS

IR

Vibrations