Geometry & MOs

Info

ID:	63456
PubChem CID:	26758380
Reduced:	BrSO4N5C19H22 (1)
Stoich.:	ABC4D5E19F22 (1)
Weight, g/mol:	349.112564
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	5.34
IP(EA), eV:	-9.05(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations