Geometry & MOs

Info

ID:

305409

PubChem CID:

124807160

Reduced:

SN4C19H20 (1)

Stoich.:

AB4C19D20 (1)

Weight, g/mol:

375.172896

ΔHf, kcal/mol:

105.97

Dipole, Da:

2.5

IP(EA), eV:

 -8.64(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C([C@@H]3CN(C[C@@H]3C2)CC4=NC=CS4)C(=N1)C5=CC=CC=C5

DOS

IR

Vibrations