Geometry & MOs

Info

ID:

427126

PubChem CID:

135155594

Reduced:

O2F3N6C34H39 (1)

Stoich.:

A2B3C6D34E39 (1)

Weight, g/mol:

620.308659

ΔHf, kcal/mol:

-159.99

Dipole, Da:

4.35

IP(EA), eV:

 -9.58(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-2-amino-3-[(4S)-5-[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)CCC(C1=CC(=C(C=C1)C(F)(F)F)C(=O)N2CC3=NC=CN=C3C2)N4C(=O)[C@@](N=C4N)(CCC(C)C)C5=CC=CC=C5

DOS

IR

Vibrations