Geometry & MOs

Info

ID:	149441
PubChem CID:	53789114
Reduced:	N2O5C18H28 (1)
Stoich.:	A2B5C18D28 (1)
Weight, g/mol:	526.369196
ΔH_f, kcal/mol:	-227.34
Dipole, Da:	3.47
IP(EA), eV:	-10.15(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1R,2S,3S)-3-(carboxymethylsulfanyl)-2-hydroxy-4-tetradecylidenecyclohexyl]octanoic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)CN=C=O)NC(=O)OCCCOC(=O)C=C)C

DOS

IR

Vibrations