Geometry & MOs

Info

ID:	48658
PubChem CID:	11110305
Reduced:	N2F3O4H13C14 (1)
Stoich.:	A2B3C4D13E14 (1)
Weight, g/mol:	330.110338
ΔH_f, kcal/mol:	-232.98
Dipole, Da:	5.61
IP(EA), eV:	-9.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyloxy-5-methyl-6-oxo-4-phenylmethoxycyclohexa-2,4-dien-1-yl) acetate

Drug info:

PubChemData

Smile

C=CCOC1=C(C=C(C=C1)C2=N[C@H](CO2)C(=O)NO)C(F)(F)F

DOS

IR

Vibrations