Geometry & MOs

Info

ID:	78314
PubChem CID:	49684402
Reduced:	ClSO2N3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-44.2
Dipole, Da:	6.13
IP(EA), eV:	-8.48(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-5-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC2CCN(CC2)C3=CC=CC=N3)Cl

DOS

IR

Vibrations