Geometry & MOs

Info

ID:	220050
PubChem CID:	85165186
Reduced:	O4N6C37H48 (1)
Stoich.:	A4B6C37D48 (1)
Weight, g/mol:	640.56419
ΔH_f, kcal/mol:	-140.55
Dipole, Da:	5.29
IP(EA), eV:	-7.97(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-2,2-dimethyl-6-(2-tetradecylhexadecoxy)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C(CC2=CN(C3=CC=CC=C32)C)NC(=O)C(CC(C)C)NC(=O)NC4CCCCCC4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations