Geometry & MOs

Info

ID:	121958
PubChem CID:	50787713
Reduced:	ClO2N6H17C19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	26.89
Dipole, Da:	4.99
IP(EA), eV:	-8.71(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=NC2=CC=CC=C2N3C1=NN(C3=O)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations