Geometry & MOs

Info

ID:	219438
PubChem CID:	85148668
Reduced:	SO6C29H32 (1)
Stoich.:	AB6C29D32 (1)
Weight, g/mol:	508.351237
ΔH_f, kcal/mol:	-185.45
Dipole, Da:	4.87
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[6-[6-(4-acetamido-3-methyloxan-2-yl)-3-methyloxan-2-yl]-5-methyloxan-2-yl]-3-methyloxan-4-yl]acetamide

Drug info:

PubChemData

Smile

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations