Geometry & MOs

Info

ID:	35065
PubChem CID:	7979261
Reduced:	NSO4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-119.34
Dipole, Da:	4.5
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3aR,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

COC1=CC=CC=C1COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations