Geometry & MOs

Info

ID:	142762
PubChem CID:	53087851
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	462.230077
ΔH_f, kcal/mol:	25.33
Dipole, Da:	3.57
IP(EA), eV:	-9.21(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CC2=CC=CS2)C(=O)C3=CC(=NN3)C4=CN=CC=C4

DOS

IR

Vibrations