Geometry & MOs

Info

ID:	426010
PubChem CID:	135134777
Reduced:	ClSO2N6H19C20 (1)
Stoich.:	ABC2D6E19F20 (1)
Weight, g/mol:	387.055674
ΔH_f, kcal/mol:	37.88
Dipole, Da:	8.68
IP(EA), eV:	-8.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-chlorophenyl)-6-methyl-13-methylsulfonyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=CC(=NC=C3C(=N2)C4=CC=CC=C4Cl)N5CCS(=O)(=O)CC5)NN1

DOS

IR

Vibrations