Geometry & MOs

Info

ID:	78252
PubChem CID:	49684219
Reduced:	ClFSN2O3C19H24 (1)
Stoich.:	ABCD2E3F19G24 (1)
Weight, g/mol:	416.213364
ΔH_f, kcal/mol:	-141.15
Dipole, Da:	3.35
IP(EA), eV:	-8.63(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations