Geometry & MOs

Info

ID:

224139

PubChem CID:

85338632

Reduced:

ClZn2O8H28C32 (1)

Stoich.:

AB2C8D28E32 (1)

Weight, g/mol:

707.368284

ΔHf, kcal/mol:

-319.33

Dipole, Da:

14.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 4.737104

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[4-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl-benzylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)O.COC(=O)C1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)O.[Cl-].[Zn+2].[Zn+2]

DOS

IR

Vibrations