Geometry & MOs

Info

ID:	373996
PubChem CID:	131322149
Reduced:	ClFSH2N2O4C7 (1)
Stoich.:	ABCD2E2F4G7 (1)
Weight, g/mol:	241.002049
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	1.11
IP(EA), eV:	-11.92(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-(3-methylsulfonyl-1H-pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)F)[N+](=O)[O-])S(=O)(=O)Cl

DOS

IR

Vibrations