Geometry & MOs

Info

ID:	306860
PubChem CID:	125263961
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-187.17
Dipole, Da:	3.88
IP(EA), eV:	-9.49(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,6aR)-4-(furan-2-ylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2C(=O)C3=CC=CO3)O[C@@H]1COCC4CCOCC4

DOS

IR

Vibrations