Geometry & MOs

Info

ID:

215013

PubChem CID:

85083994

Reduced:

NO12C32H39 (1)

Stoich.:

AB12C32D39 (1)

Weight, g/mol:

666.041179

ΔHf, kcal/mol:

-480.14

Dipole, Da:

4.77

IP(EA), eV:

 -8.96(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[3-[(1-carboxylato-2-phenylethyl)iminomethyl]-2-oxidophenyl]-2-oxidophenyl]methylideneamino]-3-phenylpropanoate;oxygen(2-);vanadium(4+)

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N)OC6CCCCO6

DOS

IR

Vibrations