Geometry & MOs

Info

ID:

378903

PubChem CID:

134225005

Reduced:

NPO7C16H30 (1)

Stoich.:

ABC7D16E30 (1)

Weight, g/mol:

559.175338

ΔHf, kcal/mol:

-398.79

Dipole, Da:

3.87

IP(EA), eV:

 -9.8(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-[4-[[(4R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxy]phenyl]-2-aminopropanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)OCC(C)(C)NC(=O)OCOP1OCC(CO1)(C)C

DOS

IR

Vibrations