Geometry & MOs

Info

ID:	61542
PubChem CID:	26710338
Reduced:	SN2O7C20H28 (1)
Stoich.:	AB2C7D20E28 (1)
Weight, g/mol:	476.198108
ΔH_f, kcal/mol:	-277.87
Dipole, Da:	7.15
IP(EA), eV:	-9.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations