Geometry & MOs

Info

ID:

215535

PubChem CID:

85084876

Reduced:

O9N12C53H60 (1)

Stoich.:

A9B12C53D60 (1)

Weight, g/mol:

1008.361579

ΔHf, kcal/mol:

-257.68

Dipole, Da:

7.32

IP(EA), eV:

 -8.44(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[2-[[1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[2-[[2-[3-(2-carboxyethyldisulfanyl)propanoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]acetyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CN=CN5)C(=O)NC(CC6=CN=CN6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)O)NC(=O)CN

DOS

IR

Vibrations