Geometry & MOs

Info

ID:	194129
PubChem CID:	78488108
Reduced:	SN2O5C15H19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	400.190617
ΔH_f, kcal/mol:	-182.27
Dipole, Da:	3.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756828
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OS(=O)(=O)C2C(=[N+](C(=O)N(C2=O)C)C)C

DOS

IR

Vibrations