Geometry & MOs

Info

ID:	352927
PubChem CID:	127284017
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-171.17
Dipole, Da:	5.77
IP(EA), eV:	-9.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCC(=C)CC2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations