Geometry & MOs

Info

ID:	345985
PubChem CID:	127270302
Reduced:	NSCl2O2C10H11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	397.093012
ΔH_f, kcal/mol:	-80.93
Dipole, Da:	3.48
IP(EA), eV:	-9.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2Cl)Cl

DOS

IR

Vibrations