Geometry & MOs

Info

ID:	233808
PubChem CID:	92098497
Reduced:	SN4O4C15H24 (1)
Stoich.:	AB4C4D15E24 (1)
Weight, g/mol:	458.162391
ΔH_f, kcal/mol:	-135.53
Dipole, Da:	6.71
IP(EA), eV:	-9.05(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

Drug info:

PubChemData

Smile

COC1=CN=CC(=N1)OC2CCC(CC2)NS(=O)(=O)N3CCCC3

DOS

IR

Vibrations