Geometry & MOs

Info

ID:

382875

PubChem CID:

134974277

Reduced:

NOSC7H10 (1)

Stoich.:

ABCD7E10 (1)

Weight, g/mol:

351.168188

ΔHf, kcal/mol:

5.5

Dipole, Da:

3.25

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.768560

Charge, e:

0

Chem-info

IUPAC name:

dimethyl 2-[(2Z)-5-hydroxy-2-hydroxyimino-5-methyl-3-phenylhexyl]propanedioate

Drug info:

PubChemData

Smile

C[S@](=[NH2+])(=O)C1=CC=CC=C1

DOS

IR

Vibrations