Geometry & MOs

Info

ID:	36695
PubChem CID:	8011352
Reduced:	NSO6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	331.121986
ΔH_f, kcal/mol:	-221.66
Dipole, Da:	2.07
IP(EA), eV:	-8.77(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@@H]2CCS(=O)(=O)C2)C)C(=O)COC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations