Geometry & MOs

Info

ID:	143151
PubChem CID:	53154284
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	378.082033
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	9.57
IP(EA), eV:	-8.32(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2,5-dimethyl-4-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)-N-(3-methylsulfanylphenyl)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(/C(=C/3\NN=C(O3)CC)/N=C2C)C

DOS

IR

Vibrations