Geometry & MOs

Info

ID:	136955
PubChem CID:	52128373
Reduced:	ClNO2F3H11C17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-183.1
Dipole, Da:	6.48
IP(EA), eV:	-9.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-5-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations