Geometry & MOs

Info

ID:	405556
PubChem CID:	135074457
Reduced:	BrSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	260.214016
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	5.64
IP(EA), eV:	-8.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R,7S)-7-ethenyl-10,10-dimethyl-3-[(2-methylpropan-2-yl)oxy]tricyclo[5.3.0.02,5]dec-3-ene

Drug info:

PubChemData

Smile

CS(=NC(=O)CC1=CC=CC=C1Br)(=O)C2=CC=CC=N2

DOS

IR

Vibrations