Geometry & MOs

Info

ID:

232435

PubChem CID:

87576180

Reduced:

O14N15C55H67 (1)

Stoich.:

A14B15C55D67 (1)

Weight, g/mol:

405.156971

ΔHf, kcal/mol:

-359.2

Dipole, Da:

15.72

IP(EA), eV:

 -8.52(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-(hexanoylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)N(C=O)[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)COC4=CC=C(C=C4)C5=NNC6=C5C(=O)C7=C6C=CC=C7NC(=O)NN8CCOCC8)C(=O)O

DOS

IR

Vibrations