Geometry & MOs

Info

ID:	63709
PubChem CID:	26759023
Reduced:	ClFNO5H17C18 (1)
Stoich.:	ABCD5E17F18 (1)
Weight, g/mol:	381.077928
ΔH_f, kcal/mol:	-214.92
Dipole, Da:	9.5
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations