Geometry & MOs

Info

ID:	78239
PubChem CID:	49684201
Reduced:	SN2O4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	406.192629
ΔH_f, kcal/mol:	-130.88
Dipole, Da:	6.2
IP(EA), eV:	-8.35(-0.62)
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]-4-methoxy-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1S(=O)(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C

DOS

IR

Vibrations