Geometry & MOs

Info

ID:	63979
PubChem CID:	26759604
Reduced:	SN2O6C21H28 (1)
Stoich.:	AB2C6D21E28 (1)
Weight, g/mol:	365.083014
ΔH_f, kcal/mol:	-204.69
Dipole, Da:	5.87
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloro-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=CC(=C(C(=C2)OC)OC)OC)C

DOS

IR

Vibrations