Geometry & MOs

Info

ID:	233772
PubChem CID:	92098460
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	421.130757
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	9.81
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CS(=O)(=O)NC2CCC(CC2)OC3=NC(=CN=C3)OC

DOS

IR

Vibrations