Geometry & MOs

Info

ID:	420088
PubChem CID:	135111091
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	-201.66
Dipole, Da:	6.29
IP(EA), eV:	-8.34(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)CC4=CC=C(C=C4)OCC(=O)O)OC

DOS

IR

Vibrations