Geometry & MOs

Info

ID:	372154
PubChem CID:	131293886
Reduced:	BrNH12C13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	218.007137
ΔH_f, kcal/mol:	57.8
Dipole, Da:	3.45
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylsulfonylthiophen-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C=C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)Br)N

DOS

IR

Vibrations