Geometry & MOs

Info

ID:

178157

PubChem CID:

76286498

Reduced:

Cl2O3N5C20H25 (1)

Stoich.:

A2B3C5D20E25 (1)

Weight, g/mol:

1125.538263

ΔHf, kcal/mol:

-97.27

Dipole, Da:

4.26

IP(EA), eV:

 -9.78(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S)-3-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonyl-nitroamino]pentanoyl]amino]acetyl]amino]-4-[[(2S)-3-methyl-1-oxo-1-[[(2R,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]amino]butan-2-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CCCCC2=NNN=C2)C(=O)OCC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations