Geometry & MOs

Info

ID:	387763
PubChem CID:	134986775
Reduced:	NPO3C9H18 (1)
Stoich.:	ABC3D9E18 (1)
Weight, g/mol:	435.76803
ΔH_f, kcal/mol:	-183.47
Dipole, Da:	5.93
IP(EA), eV:	-9.6(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1Z)-1,2-dibromo-3,4,4-trichlorobuta-1,3-dienyl]sulfanyl-4-methylbenzene

Drug info:

PubChemData

Smile

C[C@H]1CCN[P@](=O)(O1)[C@@H]([C@H](C)C=C)O

DOS

IR

Vibrations