Geometry & MOs

Info

ID:	32535
PubChem CID:	7842257
Reduced:	NSO3H21C25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	355.042292
ΔH_f, kcal/mol:	-30.93
Dipole, Da:	4.87
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations