Geometry & MOs

Info

ID:

224162

PubChem CID:

85338992

Reduced:

N7O10C45H49 (1)

Stoich.:

A7B10C45D49 (1)

Weight, g/mol:

851.388111

ΔHf, kcal/mol:

-345.91

Dipole, Da:

5.6

IP(EA), eV:

 -9.02(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)O)N

DOS

IR

Vibrations