Geometry & MOs

Info

ID:

214821

PubChem CID:

85083697

Reduced:

OC3H4 (11)

Stoich.:

AB3C4 (11)

Weight, g/mol:

616.354425

ΔHf, kcal/mol:

-506.47

Dipole, Da:

2.85

IP(EA), eV:

 -9.86(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[1-[(1-carboxy-2-hydroxyethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1C2C(C3(C(CCC(C3(C1OC(=O)C4=CC=CC=C4)CC(=O)C)OC(=O)C)(C)O)OC2(C)C)OC(=O)C

DOS

IR

Vibrations