Geometry & MOs

Info

ID:	63846
PubChem CID:	26759307
Reduced:	SCl2N2O5C21H24 (1)
Stoich.:	AB2C2D5E21F24 (1)
Weight, g/mol:	443.03439
ΔH_f, kcal/mol:	-181.74
Dipole, Da:	9.93
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations