Geometry & MOs

Info

ID:	146295
PubChem CID:	53665621
Reduced:	SN3O4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	346.28718
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	3.49
IP(EA), eV:	-9.07(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-decyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methyl pentanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C(=C(SC3=N2)C(=O)O)OC(=O)NCCCCCC#N

DOS

IR

Vibrations