Geometry & MOs

Info

ID:	137505
PubChem CID:	52216902
Reduced:	BrFNO3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-126.43
Dipole, Da:	3.36
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-N-(2-methylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations