Geometry & MOs

Info

ID:	55720
PubChem CID:	17396106
Reduced:	SN2O6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	390.141342
ΔH_f, kcal/mol:	-185.71
Dipole, Da:	8.31
IP(EA), eV:	-8.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations