Geometry & MOs

Info

ID:	64001
PubChem CID:	26759661
Reduced:	ClN2S2O5C20H25 (1)
Stoich.:	AB2C2D5E20F25 (1)
Weight, g/mol:	345.137636
ΔH_f, kcal/mol:	-190.2
Dipole, Da:	7.1
IP(EA), eV:	-8.77(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations