Geometry & MOs

Info

ID:

124139

PubChem CID:

50873411

Reduced:

OCl2N2S2H18C29 (1)

Stoich.:

AB2C2D2E18F29 (1)

Weight, g/mol:

665.97825

ΔHf, kcal/mol:

94.47

Dipole, Da:

7.15

IP(EA), eV:

 -8.37(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C(=O)/C(=C\C4=CN(C5=CC=CC=C54)CC6=C(C=CC=C6Cl)Cl)/SC3=S

DOS

IR

Vibrations