Geometry & MOs

Info

ID:	63837
PubChem CID:	26759285
Reduced:	NF3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	460.166808
ΔH_f, kcal/mol:	-299.76
Dipole, Da:	2.25
IP(EA), eV:	-8.36(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C)OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations