Geometry & MOs

Info

ID:	138610
PubChem CID:	52393295
Reduced:	N2O3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	354.197714
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941775
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-propylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C1=NOC=C1)[NH+](C)CC2=C(C(=CC=C2)OC)OCC(=C)C

DOS

IR

Vibrations