Geometry & MOs

Info

ID:	35729
PubChem CID:	7980251
Reduced:	NSO6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	379.121986
ΔH_f, kcal/mol:	-193.63
Dipole, Da:	3.21
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations