Geometry & MOs

Info

ID:

379716

PubChem CID:

134460849

Reduced:

N2S3O4C13H22 (1)

Stoich.:

A2B3C4D13E22 (1)

Weight, g/mol:

446.231139

ΔHf, kcal/mol:

-118.71

Dipole, Da:

2.48

IP(EA), eV:

 -8.85(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(2S)-6-(diaminomethylideneamino)-1-[(2R)-2-methyloxiran-2-yl]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-methyl-2-(sulfanylamino)butanamide

Drug info:

PubChemData

Smile

CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)C)CCCOC

DOS

IR

Vibrations