Geometry & MOs

Info

ID:

219177

PubChem CID:

85091252

Reduced:

N7O8C32H57 (1)

Stoich.:

A7B8C32D57 (1)

Weight, g/mol:

668.262833

ΔHf, kcal/mol:

-426.41

Dipole, Da:

4.2

IP(EA), eV:

 -9.67(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-[(8-hydroxyquinolin-5-yl)methylsulfanyl]propanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NCC(=O)O)N

DOS

IR

Vibrations