Geometry & MOs

Info

ID:	60430
PubChem CID:	26685904
Reduced:	ClSN4O4C20H27 (1)
Stoich.:	ABC4D4E20F27 (1)
Weight, g/mol:	396.265102
ΔH_f, kcal/mol:	-143.26
Dipole, Da:	3.95
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)CC(=O)NC3=C(C=CC(=C3)Cl)OC)C

DOS

IR

Vibrations