Geometry & MOs

Info

ID:	128011
PubChem CID:	51026536
Reduced:	NSO4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	146.10955
ΔH_f, kcal/mol:	-108.54
Dipole, Da:	3.08
IP(EA), eV:	-9.32(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,7R,8R)-tricyclo[6.2.1.02,7]undeca-4,9-diene

Drug info:

PubChemData

Smile

CC(=O)CC[C@]12CS[C@@H](CC1=O)[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations