Geometry & MOs

Info

ID:	223982
PubChem CID:	85336547
Reduced:	F2O3N4C21H22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	416.165745
ΔH_f, kcal/mol:	-116.02
Dipole, Da:	7.13
IP(EA), eV:	-9.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-diethoxy-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)F)F)OC2C(N(CCO2)CC3NC(=O)N=N3)C4=CC=CC=C4

DOS

IR

Vibrations