Geometry & MOs

Info

ID:	208481
PubChem CID:	80534437
Reduced:	SBr3H9C15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	428.84929
ΔH_f, kcal/mol:	81.64
Dipole, Da:	2.43
IP(EA), eV:	-9.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-3-(4,5-dibromothiophen-2-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(C3=CC(=C(S3)Br)Br)Br

DOS

IR

Vibrations