Geometry & MOs

Info

ID:	219919
PubChem CID:	85165042
Reduced:	PN6O11C24H37 (1)
Stoich.:	AB6C11D24E37 (1)
Weight, g/mol:	616.376389
ΔH_f, kcal/mol:	-558.89
Dipole, Da:	6.45
IP(EA), eV:	-9.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-dodecoxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations