Geometry & MOs

Info

ID:	164312
PubChem CID:	74382820
Reduced:	ClOSN4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	303.165686
ΔH_f, kcal/mol:	37.15
Dipole, Da:	4.61
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-methyl-4-methylsulfinyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CC(=CS2)C(=O)NC(CC3=CC=CC=C3Cl)CN

DOS

IR

Vibrations