Geometry & MOs

Info

ID:	35066
PubChem CID:	7979262
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	8.6
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O

DOS

IR

Vibrations