Geometry & MOs

Info

ID:	63718
PubChem CID:	26759043
Reduced:	ClNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	365.107479
ΔH_f, kcal/mol:	-169.95
Dipole, Da:	5.62
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations