Geometry & MOs

Info

ID:	126020
PubChem CID:	50948675
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	344.14193
ΔH_f, kcal/mol:	-164.6
Dipole, Da:	2.31
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations