Geometry & MOs

Info

ID:

179057

PubChem CID:

76427852

Reduced:

ClNO4C30H38 (1)

Stoich.:

ABC4D30E38 (1)

Weight, g/mol:

605.309449

ΔHf, kcal/mol:

-141.24

Dipole, Da:

4.22

IP(EA), eV:

 -9.44(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-[6-amino-2-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]hexanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=NOCC(=O)O)C=CC4=CC=CC=C4Cl)CC=C5C3(CCC(C5)O)C

DOS

IR

Vibrations