Geometry & MOs

Info

ID:

147875

PubChem CID:

53787533

Reduced:

I4O6C21H26 (1)

Stoich.:

A4B6C21D26 (1)

Weight, g/mol:

588.300658

ΔHf, kcal/mol:

-226.1

Dipole, Da:

9.29

IP(EA), eV:

 -8.73(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-4-carboxy-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoyl]amino]-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)C2C3CC(C(C(C3OC4C2CC(C(=O)C4I)I)I)O)I)C(=O)O

DOS

IR

Vibrations