Geometry & MOs

Info

ID:	306845
PubChem CID:	125258769
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	2.26
IP(EA), eV:	-8.03(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7aR)-2-[(5-methylthiophen-2-yl)methyl]-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1NC(=CS1)CN2[C@@H]3CCN([C@@H]3CCC2=O)C(=O)C4=NC=CC4

DOS

IR

Vibrations