Geometry & MOs

Info

ID:	198950
PubChem CID:	79177354
Reduced:	BrOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	283.98705
ΔH_f, kcal/mol:	-5.29
Dipole, Da:	2.72
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)sulfanyl-4-methylpent-4-en-2-one

Drug info:

PubChemData

Smile

CC(=C)CC(=O)CSC1=CC=CC=C1Br

DOS

IR

Vibrations