Geometry & MOs

Info

ID:	399530
PubChem CID:	135040773
Reduced:	BNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	292.022787
ΔH_f, kcal/mol:	-148.17
Dipole, Da:	7.6
IP(EA), eV:	-8.45(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropylsulfonylthiophen-2-yl)-phenylmethanone

Drug info:

PubChemData

Smile

[B-]12([NH+](CCO1)CCO2)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations