Geometry & MOs

Info

ID:	226358
PubChem CID:	87350587
Reduced:	ClNOC17H36 (1)
Stoich.:	ABCD17E36 (1)
Weight, g/mol:	492.285382
ΔH_f, kcal/mol:	-129.95
Dipole, Da:	2.15
IP(EA), eV:	-8.81(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-[1-(chloromethoxycarbonyloxy)octyl]-3-methyl-2-octylhexanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(CC(CC(C)O)N(C)C)Cl

DOS

IR

Vibrations