Geometry & MOs

Info

ID:	306876
PubChem CID:	125264153
Reduced:	NO2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-172.51
Dipole, Da:	2.2
IP(EA), eV:	-8.83(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,6aS)-N,1-dimethyl-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2[C@@H]3CCOC3)O[C@@H]1COCCN4CCOCC4

DOS

IR

Vibrations