Geometry & MOs

Info

ID:

83940

PubChem CID:

49862703

Reduced:

ON2H20C23 (1)

Stoich.:

AB2C20D23 (1)

Weight, g/mol:

535.220652

ΔHf, kcal/mol:

44.92

Dipole, Da:

2.43

IP(EA), eV:

 -8.58(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-3-[(3aR,6aS)-5-[6-(trifluoromethyl)pyridazine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=CN=C3C=C2)NC4=CC=C(C=C4)CCO

DOS

IR

Vibrations