Geometry & MOs

Info

ID:	197379
PubChem CID:	78959671
Reduced:	ClSN3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	392.99134
ΔH_f, kcal/mol:	64.06
Dipole, Da:	1.63
IP(EA), eV:	-9.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-chloropyridin-3-yl)sulfonyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)NCC2=CN3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations