Geometry & MOs

Info

ID:	60940
PubChem CID:	26703385
Reduced:	FSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	463.09687
ΔH_f, kcal/mol:	-170.38
Dipole, Da:	4.1
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations