Geometry & MOs

Info

ID:

56978

PubChem CID:

22395177

Reduced:

N2O3C10H14 (5)

Stoich.:

A2B3C10D14 (5)

Weight, g/mol:

770.49019

ΔHf, kcal/mol:

-693.41

Dipole, Da:

4.21

IP(EA), eV:

 -8.97(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations