Geometry & MOs

Info

ID:

222980

PubChem CID:

85333625

Reduced:

P4N5C18O21H29 (1)

Stoich.:

A4B5C18D21E29 (1)

Weight, g/mol:

775.371197

ΔHf, kcal/mol:

-1161.74

Dipole, Da:

11.32

IP(EA), eV:

 -9.58(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[5-amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3CC(C(O3)N4C=CC(=NC4=O)N)O)O)O

DOS

IR

Vibrations