Geometry & MOs

Info

ID:

191921

PubChem CID:

78202254

Reduced:

O3N6C25H36 (1)

Stoich.:

A3B6C25D36 (1)

Weight, g/mol:

1023.534909

ΔHf, kcal/mol:

-68.52

Dipole, Da:

9.64

IP(EA), eV:

-9.4(-0.5)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-[[6-amino-1-[[1-[[1-[[2-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC1CCC2C(C1)CC(C(=O)N2)CN(CC3=CC=CC=C3)CC4=NN=NN4CC(=O)OCC

DOS

IR

Vibrations