Geometry & MOs

Info

ID:	63989
PubChem CID:	26759633
Reduced:	ClFSN2O3C18H20 (1)
Stoich.:	ABCD2E3F18G20 (1)
Weight, g/mol:	409.0325
ΔH_f, kcal/mol:	-144.09
Dipole, Da:	5.16
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)F)Cl)C

DOS

IR

Vibrations