Geometry & MOs

Info

ID:

427146

PubChem CID:

135155722

Reduced:

F2N4O5C32H32 (1)

Stoich.:

A2B4C5D32E32 (1)

Weight, g/mol:

615.208037

ΔHf, kcal/mol:

-265.89

Dipole, Da:

4.29

IP(EA), eV:

 -8.49(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-3-[[3-(4-acetylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenyl]methyl]-2-amino-5-(4-fluorophenyl)-5-(4,4,4-trifluorobutyl)imidazol-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=C(C(=CC=C2)F)COC(=O)N)C3=C(C=C(C4=C3C5=C(N4)C[C@H](CC5)C(C)(C)O)C(=O)N)F

DOS

IR

Vibrations