Geometry & MOs

Info

ID:	298974
PubChem CID:	117664837
Reduced:	KC4H6O8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	506.05037
ΔH_f, kcal/mol:	-377.48
Dipole, Da:	13.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755494
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]phenyl]-N-methylsulfonylmethanesulfonamide

Drug info:

PubChemData

Smile

C(=O)(C(C(C(=O)O)(O)O)(O)O)O.[K]

DOS

IR

Vibrations