Geometry & MOs

Info

ID:	392999
PubChem CID:	135018862
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	4.14
IP(EA), eV:	-9.47(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7S)-4,7-dimethyl-3-methylidenetricyclo[5.3.0.01,4]decan-5-one

Drug info:

PubChemData

Smile

CCO/C(=N\S(=O)(=O)C1=CC=C(C=C1)C)/C(CC=C)C2=CC=CC=C2

DOS

IR

Vibrations