Geometry & MOs

Info

ID:	166121
PubChem CID:	74640533
Reduced:	SN2O6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	383.176644
ΔH_f, kcal/mol:	-187.6
Dipole, Da:	5.51
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations