Geometry & MOs

Info

ID:	122771
PubChem CID:	50820951
Reduced:	SN3O4C18H29 (1)
Stoich.:	AB3C4D18E29 (1)
Weight, g/mol:	475.121131
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	3.92
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCS(=O)(=O)N1CCNCC1)C(=O)CCC2=CC=C(C=C2)OC

DOS

IR

Vibrations