Geometry & MOs

Info

ID:	68687
PubChem CID:	46508901
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	455.085029
ΔH_f, kcal/mol:	-137.19
Dipole, Da:	4.35
IP(EA), eV:	-9.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC(C)C

DOS

IR

Vibrations