Geometry & MOs

Info

ID:	204855
PubChem CID:	80021835
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	181.056135
ΔH_f, kcal/mol:	-55.77
Dipole, Da:	2.84
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-sulfanylbut-2-enyl)pyridin-4-one

Drug info:

PubChemData

Smile

C1C(=O)N(C2=CC=CC=C2O1)CCCS

DOS

IR

Vibrations