Geometry & MOs

Info

ID:

427125

PubChem CID:

135155593

Reduced:

FO2N6C28H29 (1)

Stoich.:

AB2C6D28E29 (1)

Weight, g/mol:

620.308659

ΔHf, kcal/mol:

-19.83

Dipole, Da:

4.16

IP(EA), eV:

 -9.46(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-2-amino-3-[1-[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-(trifluoromethyl)phenyl]-4-methylpentyl]-5-(3-methylbutyl)-5-phenylimidazol-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations