Geometry & MOs

Info

ID:

219651

PubChem CID:

85164327

Reduced:

SN3O5C30H33 (1)

Stoich.:

AB3C5D30E33 (1)

Weight, g/mol:

542.205301

ΔHf, kcal/mol:

-108.67

Dipole, Da:

4.17

IP(EA), eV:

 -8.34(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-acetyl-6-[(4-methoxy-3-methylphenyl)methyl]-3-[(7-methyl-6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]piperazine-2,5-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3C(CC(NC3NC2=S)C4=CC=C(C=C4)OC)C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations