Geometry & MOs

Info

ID:	368337
PubChem CID:	127327930
Reduced:	SO3N5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	338.098352
ΔH_f, kcal/mol:	-82.97
Dipole, Da:	4.72
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)SC2=NN=C(N2CC3CCCO3)N4CCOCC4

DOS

IR

Vibrations