Geometry & MOs

Info

ID:	208961
PubChem CID:	80607835
Reduced:	SO3N5C11H13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	295.110296
ΔH_f, kcal/mol:	7.41
Dipole, Da:	6.19
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN2C=C(C(=CC2=O)C)[N+](=O)[O-]

DOS

IR

Vibrations