Geometry & MOs

Info

ID:	194522
PubChem CID:	78548046
Reduced:	ClNSO3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	303.090686
ΔH_f, kcal/mol:	-109.53
Dipole, Da:	5.1
IP(EA), eV:	-9.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoroanilino)-2-oxoethyl] 2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C(C)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations