Geometry & MOs

Info

ID:

223216

PubChem CID:

85334698

Reduced:

N15O19C59H97 (1)

Stoich.:

A15B19C59D97 (1)

Weight, g/mol:

1322.578765

ΔHf, kcal/mol:

-894.6

Dipole, Da:

13.39

IP(EA), eV:

 -9.11(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[4-amino-2-[[3-amino-3-[[2-[3-[[2-[[2-[[6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]-methylamino]-3-carboxypropyl]sulfanylacetyl]amino]propanoyl]amino]butanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O)N

DOS

IR

Vibrations