Geometry & MOs

Info

ID:	381187
PubChem CID:	134971842
Reduced:	NSO3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-98.62
Dipole, Da:	3.21
IP(EA), eV:	-8.42(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,8R)-tricyclo[6.6.0.02,6]tetradecane-10,14-dione

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC2=C(C3=C(S2)CCCC3)C(=O)OC

DOS

IR

Vibrations