Geometry & MOs

Info

ID:	83441
PubChem CID:	49857595
Reduced:	SO2N7H19C21 (1)
Stoich.:	AB2C7D19E21 (1)
Weight, g/mol:	459.147744
ΔH_f, kcal/mol:	98.26
Dipole, Da:	8.04
IP(EA), eV:	-8.92(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-methyl-10-(6-pyridin-3-ylpyridin-3-yl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,10-pentaen-7-yl]thiane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=NN=C2C1=C(N=C3N2NC=C3C4=CC5=CC=CC=C5N=C4)N6CCS(=O)(=O)CC6

DOS

IR

Vibrations