Geometry & MOs

Info

ID:

215412

PubChem CID:

85084695

Reduced:

N8O10C47H52 (1)

Stoich.:

A8B10C47D52 (1)

Weight, g/mol:

888.406478

ΔHf, kcal/mol:

-339.48

Dipole, Da:

16.52

IP(EA), eV:

 -8.68(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[3-[[2-[[2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-2-oxopyrrolidin-1-yl]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl azide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NCCCCC(C(=O)NC(CC(=O)O)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5C(=O)O

DOS

IR

Vibrations