Geometry & MOs

Info

ID:	333911
PubChem CID:	127252463
Reduced:	FSN3O4C18H24 (1)
Stoich.:	ABC3D4E18F24 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-210.36
Dipole, Da:	10.66
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,7aR)-5-(2-benzyl-1,3-thiazole-4-carbonyl)-2-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@]12CCN(C[C@@H]1CN(C2)C(=O)C)S(=O)(=O)CC3=CC=CC=C3F

DOS

IR

Vibrations