Geometry & MOs

Info

ID:	28432
PubChem CID:	827561
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	236.044191
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	3.17
IP(EA), eV:	-9.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10bS)-3-methyl-6,10b-dihydro-5H-[1,3,4]thiadiazolo[2,3-a]isoquinoline-2-thione

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](C(=NN1)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations