Geometry & MOs

Info

ID:

378901

PubChem CID:

134225003

Reduced:

ClNOC7H10 (1)

Stoich.:

ABCD7E10 (1)

Weight, g/mol:

626.238666

ΔHf, kcal/mol:

-32.63

Dipole, Da:

3.02

IP(EA), eV:

 -9.34(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(4R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethoxycarbonylamino]-2-methylpropyl] (2S)-2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)Cl)C(C)C

DOS

IR

Vibrations