Geometry & MOs

Info

ID:	36852
PubChem CID:	8013757
Reduced:	NO6C21H31 (1)
Stoich.:	AB6C21D31 (1)
Weight, g/mol:	411.088493
ΔH_f, kcal/mol:	-255.26
Dipole, Da:	4.94
IP(EA), eV:	-8.66(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations