Geometry & MOs

Info

ID:	333918
PubChem CID:	127252470
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	5.48
IP(EA), eV:	-9.1(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3aS,9aS)-2-benzyl-3a-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[3,2-b]azocine-4-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(=O)N1[C@H]2CCCCCN([C@]2(C[C@H]1C3=CC=CC=C3)C)S(=O)(=O)N(C)C

DOS

IR

Vibrations