Geometry & MOs

Info

ID:	142278
PubChem CID:	53008082
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	426.049019
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	4.8
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CN=C3N(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations