Geometry & MOs

Info

ID:

223908

PubChem CID:

85335753

Reduced:

N2O11C38H38 (1)

Stoich.:

A2B11C38D38 (1)

Weight, g/mol:

699.410166

ΔHf, kcal/mol:

-363.45

Dipole, Da:

5.56

IP(EA), eV:

 -8.53(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C2C3C(COC3O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations