Geometry & MOs

Info

ID:	343708
PubChem CID:	127266884
Reduced:	SN2O6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	342.088557
ΔH_f, kcal/mol:	-149.29
Dipole, Da:	4.88
IP(EA), eV:	-9.65(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methylpiperidin-1-yl)sulfonyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)OC)C

DOS

IR

Vibrations