Geometry & MOs

Info

ID:	233801
PubChem CID:	92098490
Reduced:	SN4O5C21H28 (1)
Stoich.:	AB4C5D21E28 (1)
Weight, g/mol:	425.105685
ΔH_f, kcal/mol:	-171.91
Dipole, Da:	9.85
IP(EA), eV:	-9.17(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC2CCC(CC2)OC3=NC(=CN=C3)OC)C

DOS

IR

Vibrations