Geometry & MOs

Info

ID:	63301
PubChem CID:	26750547
Reduced:	FSN3O5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	395.01685
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	4.65
IP(EA), eV:	-9.45(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CCC(=O)NNC(=O)/C=C/C3=CC(=CC=C3)F

DOS

IR

Vibrations