Geometry & MOs

Info

ID:	179784
PubChem CID:	76532525
Reduced:	S2N7O8C43H55 (1)
Stoich.:	A2B7C8D43E55 (1)
Weight, g/mol:	362.266839
ΔH_f, kcal/mol:	-218.12
Dipole, Da:	4.67
IP(EA), eV:	-8.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-dodecoxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)N(C)C(C)C)C(=O)NS(=O)(=O)C6CC6)C7=NC(=CS7)C8CC8)OC

DOS

IR

Vibrations