Geometry & MOs

Info

ID:	68700
PubChem CID:	46508923
Reduced:	SF2N2O2H16C23 (1)
Stoich.:	AB2C2D2E16F23 (1)
Weight, g/mol:	451.110101
ΔH_f, kcal/mol:	-49.93
Dipole, Da:	2.12
IP(EA), eV:	-8.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

DOS

IR

Vibrations