Geometry & MOs

Info

ID:	306906
PubChem CID:	125264295
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	347.203134
ΔH_f, kcal/mol:	-61.97
Dipole, Da:	2.6
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aR,7aR)-1-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H]2CN([C@@H]3[C@H]2OCCC3)C(=O)CC4=CC=CS4

DOS

IR

Vibrations