Geometry & MOs

Info

ID:	352547
PubChem CID:	127283635
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-113.91
Dipole, Da:	6.83
IP(EA), eV:	-9.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(=C)CC3)C

DOS

IR

Vibrations