Geometry & MOs

Info

ID:	306904
PubChem CID:	125264282
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-159.58
Dipole, Da:	3.67
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,3aS,7aS)-3-(4-methylpiperazin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

C=CCOC[C@@H]1CC[C@@H]2[C@H](O1)CCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations