Geometry & MOs

Info

ID:	189975
PubChem CID:	77935316
Reduced:	O3N4C29H40 (1)
Stoich.:	A3B4C29D40 (1)
Weight, g/mol:	468.345089
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	3.02
IP(EA), eV:	-8.28(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydroxyethyl)-4-hydroxy-3-(4,8,12,16-tetramethylheptadec-3-enoxy)-2H-furan-5-one

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1C)C(=O)NCC2C(CC(NC2=O)C)C)C3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations