Geometry & MOs

Info

ID:	307200
PubChem CID:	125275761
Reduced:	SN4O4C18H18 (1)
Stoich.:	AB4C4D18E18 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-21.14
Dipole, Da:	10.21
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,9R)-11-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridec-4-en-6-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)S(=O)(=O)N/N=C\C2=C(N=NC2)C3=CC=CC=C3)OC

DOS

IR

Vibrations