Geometry & MOs

Info

ID:	368518
PubChem CID:	127329340
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	16.74
Dipole, Da:	7.29
IP(EA), eV:	-9.08(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=CC(=NC4=C3C(=NO4)C)C5=CC=CC=C5

DOS

IR

Vibrations