Geometry & MOs

Info

ID:	343707
PubChem CID:	127266883
Reduced:	SN2O5C15H24 (1)
Stoich.:	AB2C5D15E24 (1)
Weight, g/mol:	342.088557
ΔH_f, kcal/mol:	-194.89
Dipole, Da:	5.57
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)C1=C(C=CC(=C1)OC)O)N2CCOCC2

DOS

IR

Vibrations