Geometry & MOs

Info

ID:	372553
PubChem CID:	131299613
Reduced:	OSN2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	218.040151
ΔH_f, kcal/mol:	28.61
Dipole, Da:	5.13
IP(EA), eV:	-8.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylsulfanylfuran-2-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CSC1=C(NC=C1)C(=O)C2=CC=CC=N2

DOS

IR

Vibrations