Geometry & MOs

Info

ID:	271901
PubChem CID:	103698139
Reduced:	ClSN2O2C10H11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	315.094057
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	4.72
IP(EA), eV:	-10.27(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-4-fluorobenzoate

Drug info:

PubChemData

Smile

C#CCCCNS(=O)(=O)C1=CN=C(C=C1)Cl

DOS

IR

Vibrations