Geometry & MOs

Info

ID:	244188
PubChem CID:	99319286
Reduced:	F2N2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	481.148298
ΔH_f, kcal/mol:	-213.44
Dipole, Da:	3.18
IP(EA), eV:	-8.89(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations