Geometry & MOs

Info

ID:

215266

PubChem CID:

85084454

Reduced:

N7O13C36H47 (1)

Stoich.:

A7B13C36D47 (1)

Weight, g/mol:

785.378198

ΔHf, kcal/mol:

-430.5

Dipole, Da:

5.19

IP(EA), eV:

 -6.96(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-(2,5-diaminopentanoylamino)-4-oxo-4-phenylmethoxybutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)N1)C(=O)OCC2=CC=CC=C2)C(C)O)CC3=CC=C(C=C3)O)CC(=O)N)C(C)O)O

DOS

IR

Vibrations