Geometry & MOs

Info

ID:	142626
PubChem CID:	53069088
Reduced:	SF2N2O4C14H14 (1)
Stoich.:	AB2C2D4E14F14 (1)
Weight, g/mol:	329.140927
ΔH_f, kcal/mol:	-220.37
Dipole, Da:	7.81
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-ethylpiperazin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C(=O)OC)S(=O)(=O)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations