Geometry & MOs

Info

ID:

159145

PubChem CID:

57261283

Reduced:

PC3O3H8 (1)

Stoich.:

AB3C3D8 (1)

Weight, g/mol:

283.061136

ΔHf, kcal/mol:

-138.62

Dipole, Da:

3.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757532

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[4-[(2-chloroacetyl)amino]phenyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC[P+](=O)O

DOS

IR

Vibrations