Geometry & MOs

Info

ID:	169052
PubChem CID:	75059347
Reduced:	FN2O6C33H34 (1)
Stoich.:	AB2C6D33E34 (1)
Weight, g/mol:	438.134839
ΔH_f, kcal/mol:	-238.19
Dipole, Da:	3.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.130450
Charge, e:	0

Chem-info

IUPAC name:

(3,5-diacetyloxy-6-phenylsulfanyl-4-prop-2-enoxyoxan-2-yl)methyl acetate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O

DOS

IR

Vibrations