Geometry & MOs

Info

ID:

135353

PubChem CID:

51858441

Reduced:

SN3O3C25H29 (1)

Stoich.:

AB3C3D25E29 (1)

Weight, g/mol:

498.19032

ΔHf, kcal/mol:

-90.2

Dipole, Da:

4.5

IP(EA), eV:

 -8.86(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4S)-6-[[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)[C@@H](C)SC1=NC2=CC=CC=C2C(=O)N1C[C@@H]3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations