Geometry & MOs

Info

ID:	157831
PubChem CID:	56437509
Reduced:	SO4N5C22H31 (1)
Stoich.:	AB4C5D22E31 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-119.47
Dipole, Da:	6.77
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-morpholin-4-ylphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CNC(=O)C3=CN(N=C3)C

DOS

IR

Vibrations