Geometry & MOs

Info

ID:

427151

PubChem CID:

135155734

Reduced:

O2N7H23C28 (1)

Stoich.:

A2B7C23D28 (1)

Weight, g/mol:

606.293009

ΔHf, kcal/mol:

90.06

Dipole, Da:

4.91

IP(EA), eV:

 -9.37(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=CN=CN=C2CN1C(=O)C3=CC(=NC=C3)CN4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations