Geometry & MOs

Info

ID:

145022

PubChem CID:

53449439

Reduced:

NS2O3C10H10 (1)

Stoich.:

AB2C3D10E10 (1)

Weight, g/mol:

310.144319

ΔHf, kcal/mol:

-68.96

Dipole, Da:

6.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.794298

Charge, e:

 -1

Chem-info

IUPAC name:

6-(4-methylanilino)-4-oxo-6-phenylhexanoate

Drug info:

PubChemData

Smile

CC=CC=C1C(=O)N(C(=S)S1)C(C)C(=O)[O-]

DOS

IR

Vibrations