Geometry & MOs

Info

ID:	183754
PubChem CID:	77064220
Reduced:	OSN4C14H24 (1)
Stoich.:	ABC4D14E24 (1)
Weight, g/mol:	236.109568
ΔH_f, kcal/mol:	-9.15
Dipole, Da:	2.69
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1C)SCCCC(C)(C)C(=NO)N)C

DOS

IR

Vibrations