Geometry & MOs

Info

ID:	233805
PubChem CID:	92098494
Reduced:	ClSN3O5C18H22 (1)
Stoich.:	ABC3D5E18F22 (1)
Weight, g/mol:	436.141656
ΔH_f, kcal/mol:	-155.72
Dipole, Da:	6.99
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]sulfamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2CCC(CC2)OC3=NC(=CN=C3)OC

DOS

IR

Vibrations