Geometry & MOs

Info

ID:	405068
PubChem CID:	135072389
Reduced:	OSC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	300.97721
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	2.61
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromohex-2-ynylsulfonyl)pyridine

Drug info:

PubChemData

Smile

CCSC(=O)/C=C(\C)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations