Geometry & MOs

Info

ID:	230432
PubChem CID:	87570886
Reduced:	FNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	136.001657
ΔH_f, kcal/mol:	-70.4
Dipole, Da:	2.04
IP(EA), eV:	-9.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis(sulfanyl)butan-2-one

Drug info:

PubChemData

Smile

CCCC/C=C/CCOC1=CC=CC(=C1F)CN

DOS

IR

Vibrations