Geometry & MOs

Info

ID:	175549
PubChem CID:	75920631
Reduced:	O3N5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	418.138485
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	3.47
IP(EA), eV:	-9.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-(2-phenyl-2-phenylsulfanylacetyl)piperidin-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCCC(C3)C4=NC(=NO4)C

DOS

IR

Vibrations