Geometry & MOs

Info

ID:	229965
PubChem CID:	87569708
Reduced:	SN4O7C31H48 (1)
Stoich.:	AB4C7D31E48 (1)
Weight, g/mol:	401.85702
ΔH_f, kcal/mol:	-293.91
Dipole, Da:	4.56
IP(EA), eV:	-8.5(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis(4-bromophenyl)ethene-1,2-dithiol

Drug info:

PubChemData

Smile

CCCCCC(NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)/C(=C/C3=C(C(=C(C(=C3OC)OC)OC)OC)C)/C

DOS

IR

Vibrations