Geometry & MOs

Info

ID:	36842
PubChem CID:	8013643
Reduced:	NCl2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	391.143116
ΔH_f, kcal/mol:	-152.06
Dipole, Da:	2.05
IP(EA), eV:	-9.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations