Geometry & MOs

Info

ID:	158674
PubChem CID:	56464626
Reduced:	ClSN4O4C17H21 (1)
Stoich.:	ABC4D4E17F21 (1)
Weight, g/mol:	439.134797
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	2.43
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC(=C(C=C3)Cl)NS(=O)(=O)C

DOS

IR

Vibrations