Geometry & MOs

Info

ID:	23383
PubChem CID:	603301
Reduced:	BrNOS2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	340.95437
ΔH_f, kcal/mol:	27.74
Dipole, Da:	5.19
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromophenyl)-3-oxo-1-sulfanylprop-1-enyl]sulfanylbutanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C=C(S)SCCCC#N)Br

DOS

IR

Vibrations