Geometry & MOs

Info

ID:	352545
PubChem CID:	127283633
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	388.182064
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	6.87
IP(EA), eV:	-9.51(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC(=C)CC2)C

DOS

IR

Vibrations