Geometry & MOs

Info

ID:	194619
PubChem CID:	78563776
Reduced:	NF3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	413.147452
ΔH_f, kcal/mol:	-252.82
Dipole, Da:	13.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.831418
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=C(C=CC(=C4)C)C)C(F)(F)F)O

DOS

IR

Vibrations