Geometry & MOs

Info

ID:

223058

PubChem CID:

85334315

Reduced:

N10O17C49H68 (1)

Stoich.:

A10B17C49D68 (1)

Weight, g/mol:

1069.664801

ΔHf, kcal/mol:

-736.31

Dipole, Da:

6.23

IP(EA), eV:

 -9.11(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoylamino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)OC1=CC=C(C=C1)N=NC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C

DOS

IR

Vibrations