Geometry & MOs

Info

ID:

223150

PubChem CID:

85334600

Reduced:

S2N14O21C47H78 (1)

Stoich.:

A2B14C21D47E78 (1)

Weight, g/mol:

1238.548904

ΔHf, kcal/mol:

-938.96

Dipole, Da:

12.26

IP(EA), eV:

 -8.85(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[2-[[1-[[1-[[1-[[5-amino-1-[[3-carboxy-1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations