Geometry & MOs

Info

ID:

47048

PubChem CID:

10529173

Reduced:

O4H32C33 (1)

Stoich.:

A4B32C33 (1)

Weight, g/mol:

492.229408

ΔHf, kcal/mol:

-72.78

Dipole, Da:

3.65

IP(EA), eV:

 -8.73(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2S)-2-[[1-[[(2S)-2-(2,2-dimethylpropanoylsulfanyl)-3-methylbutanoyl]amino]cyclopropanecarbonyl]amino]-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC/C(=C(/C1=CC=C(C=C1)OCC(=O)OCC)\C2=CC(=CC=C2)OCC3=CC=CC=C3)/C4=CC=CC=C4

DOS

IR

Vibrations