Geometry & MOs

Info

ID:	63845
PubChem CID:	26759304
Reduced:	NO3F4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	486.078298
ΔH_f, kcal/mol:	-309.39
Dipole, Da:	4.11
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations