Geometry & MOs

Info

ID:	36506
PubChem CID:	8007723
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	407.093579
ΔH_f, kcal/mol:	-216.82
Dipole, Da:	6.42
IP(EA), eV:	-9.79(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCC[C@@H](C)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations