Geometry & MOs

Info

ID:	63788
PubChem CID:	26759190
Reduced:	NSCl2F3O3H14C18 (1)
Stoich.:	ABC2D3E3F14G18 (1)
Weight, g/mol:	424.085971
ΔH_f, kcal/mol:	-260.03
Dipole, Da:	4.64
IP(EA), eV:	-9.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations