Geometry & MOs

Info

ID:

215014

PubChem CID:

85083995

Reduced:

NVO4H12C16 (2)

Stoich.:

ABC4D12E16 (2)

Weight, g/mol:

666.301327

ΔHf, kcal/mol:

-90.12

Dipole, Da:

9.1

IP(EA), eV:

 -7.18(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[3-(2-amino-3-phenylpropanoyl)oxirane-2-carbonyl]hydrazinyl]-3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)[O-])N=CC2=C(C(=CC=C2)C3=CC=CC(=C3[O-])C=NC(CC4=CC=CC=C4)C(=O)[O-])[O-].[O-2].[O-2].[V+4].[V+4]

DOS

IR

Vibrations