Geometry & MOs

Info

ID:	245063
PubChem CID:	99437355
Reduced:	SO3N5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	496.108437
ΔH_f, kcal/mol:	-35.29
Dipole, Da:	4.49
IP(EA), eV:	-8.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-pyrazin-2-ylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C=CN=C3C4=NC=CN=C4

DOS

IR

Vibrations