Geometry & MOs

Info

ID:	122768
PubChem CID:	50820537
Reduced:	ClS2N3O5H18C20 (1)
Stoich.:	AB2C3D5E18F20 (1)
Weight, g/mol:	435.146203
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	8.2
IP(EA), eV:	-7.93(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-N-cyclopentyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=O)C(=C(N=C3S2)C)S(=O)(=O)NC4=CC(=C(C=C4OC)OC)Cl

DOS

IR

Vibrations