Geometry & MOs

Info

ID:	221228
PubChem CID:	85261592
Reduced:	PS2N6O7C19H25 (1)
Stoich.:	AB2C6D7E19F25 (1)
Weight, g/mol:	544.340004
ΔH_f, kcal/mol:	-294.2
Dipole, Da:	8.75
IP(EA), eV:	-9.79(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2C(=N1)N(C=N2)C3CC(C(O3)COP(=S)(OCCC#N)S)OC(=O)C

DOS

IR

Vibrations