Geometry & MOs

Info

ID:

223030

PubChem CID:

85334057

Reduced:

N11O13C44H69 (1)

Stoich.:

A11B13C44D69 (1)

Weight, g/mol:

965.6022

ΔHf, kcal/mol:

-619.47

Dipole, Da:

5.71

IP(EA), eV:

 -9.34(0.1)

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]amino]-3-hydroxybutanoyl]amino]pentanoyl-methylamino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(C)N

DOS

IR

Vibrations