Geometry & MOs

Info

ID:	311385
PubChem CID:	126591275
Reduced:	OSN3H5C7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	32.91
Dipole, Da:	5.27
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-N-ethyl-2-[(1R)-1-phenylethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1C=O)SC(=N2)N

DOS

IR

Vibrations