Geometry & MOs

Info

ID:	63754
PubChem CID:	26759124
Reduced:	SN2O6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	488.039805
ΔH_f, kcal/mol:	-159.7
Dipole, Da:	13.21
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC(=C(C=C3)OCC=C)OC

DOS

IR

Vibrations