Geometry & MOs

Info

ID:	333900
PubChem CID:	127252452
Reduced:	ON4C24H26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	343.102434
ΔH_f, kcal/mol:	45.96
Dipole, Da:	2.3
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9aR)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3,3a,4,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-5-one

Drug info:

PubChemData

Smile

CC1=NN=C(C2=CC=CC=C12)N3CC[C@@H]4[C@H]3CCCC(=O)N4CC5=CC=CC=C5

DOS

IR

Vibrations