Geometry & MOs

Info

ID:	269328
PubChem CID:	103617008
Reduced:	ON2C15H28 (1)
Stoich.:	AB2C15D28 (1)
Weight, g/mol:	309.083493
ΔH_f, kcal/mol:	-98.57
Dipole, Da:	3.32
IP(EA), eV:	-9.57(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)sulfonyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCCCC2CCCC2

DOS

IR

Vibrations