Geometry & MOs

Info

ID:	215021
PubChem CID:	85084007
Reduced:	N8O9C30H52 (1)
Stoich.:	A8B9C30D52 (1)
Weight, g/mol:	668.447446
ΔH_f, kcal/mol:	-450.77
Dipole, Da:	7.25
IP(EA), eV:	-9.6(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridec-7-en-9-ynyl]-5-methyl-3-phenylsulfanyloxolan-2-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)O)N

DOS

IR

Vibrations