Geometry & MOs

Info

ID:

694

PubChem CID:

3211

Reduced:

O7N8C21H36 (1)

Stoich.:

A7B8C21D36 (1)

Weight, g/mol:

512.270696

ΔHf, kcal/mol:

-317.54

Dipole, Da:

4.43

IP(EA), eV:

 -9.59(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)NC(C1CCN=C(N1)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C=O

DOS

IR

Vibrations