Geometry & MOs

Info

ID:

49849

PubChem CID:

11533953

Reduced:

O2N3C35H45 (1)

Stoich.:

A2B3C35D45 (1)

Weight, g/mol:

540.111498

ΔHf, kcal/mol:

-54.75

Dipole, Da:

4.79

IP(EA), eV:

 -8.55(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(2S)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxoimidazolidin-1-yl]-3-(4-fluorophenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)NC(=O)NC3CCC(CC3)CCN4CCC(CC4)C5=CC=CC=C5

DOS

IR

Vibrations