Geometry & MOs

Info

ID:	398364
PubChem CID:	135032973
Reduced:	FNPH20C24 (1)
Stoich.:	ABCD20E24 (1)
Weight, g/mol:	344.110732
ΔH_f, kcal/mol:	59.57
Dipole, Da:	12.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883509
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3,4,5-triacetyloxy-6-methylideneoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)F

DOS

IR

Vibrations