Geometry & MOs

Info

ID:	224771
PubChem CID:	85349876
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	356.111602
ΔH_f, kcal/mol:	-21.04
Dipole, Da:	8.23
IP(EA), eV:	-9.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[bis(ethylsulfanyl)methyl]-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CN=NC(=O)C2Cl)C(=O)C3=CC=CO3

DOS

IR

Vibrations