Geometry & MOs

Info

ID:	120854
PubChem CID:	50746937
Reduced:	ClFN2O3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	341.031099
ΔH_f, kcal/mol:	-133.29
Dipole, Da:	7.62
IP(EA), eV:	-8.13(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)N2CCCC2C3=CC(=CC=C3)F)Cl)OC

DOS

IR

Vibrations