Geometry & MOs

Info

ID:

80035

PubChem CID:

49832322

Reduced:

O5C20H22 (1)

Stoich.:

A5B20C22 (1)

Weight, g/mol:

848.343308

ΔHf, kcal/mol:

-168.89

Dipole, Da:

10.03

IP(EA), eV:

 -9.13(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (Z,3S)-5-chloro-3-[[(2R)-3-methyl-2-[[(2S)-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-phenylacetyl]amino]butanoyl]amino]-5-propan-2-ylsulfonylpent-4-enoate

Drug info:

PubChemData

Smile

CCCCCC(=O)C1C2C(C(=O)C=C3C2=COC(=C3)/C=C/C)OC1=O

DOS

IR

Vibrations