Geometry & MOs

Info

ID:	307025
PubChem CID:	125264681
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	2.09
IP(EA), eV:	-8.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3aR,6aS)-4-[(4-methylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H]2CN([C@@H]3[C@@H]2OCCC3)C(=O)CC4=CSC=C4

DOS

IR

Vibrations