Geometry & MOs

Info

ID:	391788
PubChem CID:	135009612
Reduced:	NSO5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	1.54
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4R,5R,7E)-5-hydroxy-2,4,7-trimethylnona-2,7-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)C1CSC(=N1)C2=CC=C(O2)COC(=O)C3=CC=CC=C3

DOS

IR

Vibrations