Geometry & MOs

Info

ID:

223052

PubChem CID:

85334276

Reduced:

SN13O19C39H67 (1)

Stoich.:

AB13C19D39E67 (1)

Weight, g/mol:

1054.588341

ΔHf, kcal/mol:

-908.83

Dipole, Da:

8.13

IP(EA), eV:

 -9.33(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-amino-2-[2-[[5-amino-2-[2-[[5-amino-2-[2-[[5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl-methylamino]-5-oxopentanoyl]amino]propanoylamino]-5-oxopentanoyl]-methylamino]propanoylamino]-5-oxopentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CS)N)O

DOS

IR

Vibrations