Geometry & MOs

Info

ID:

237510

PubChem CID:

92719424

Reduced:

F2O3N5H23C24 (1)

Stoich.:

A2B3C5D23E24 (1)

Weight, g/mol:

475.221954

ΔHf, kcal/mol:

-122.09

Dipole, Da:

3.25

IP(EA), eV:

 -9.27(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (7S)-4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-7-(4-methylphenyl)-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@H]1C3=CC=C(C=C3)C)CC(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations