Geometry & MOs

Info

ID:	394292
PubChem CID:	135022687
Reduced:	NSO2C27H29 (1)
Stoich.:	ABC2D27E29 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	6.1
IP(EA), eV:	-9.08(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,6R)-3,6-dimethyltetracyclo[6.3.0.01,3.02,6]undec-9-en-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)C)(C4CC4)C5=CC=CC=C5

DOS

IR

Vibrations