Geometry & MOs

Info

ID:

315914

PubChem CID:

126629423

Reduced:

FN3O5C30H36 (1)

Stoich.:

AB3C5D30E36 (1)

Weight, g/mol:

520.259612

ΔHf, kcal/mol:

-222.02

Dipole, Da:

5.41

IP(EA), eV:

 -9.18(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]pyridin-3-yl]-deuteriomethyl] (2S)-2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C2=C(C=CN=C2)COC(=O)[C@H](C(C)C)N)C(=O)NCC3=CC(=C(C=C3)CO)F

DOS

IR

Vibrations