Geometry & MOs

Info

ID:	67666
PubChem CID:	46506924
Reduced:	ClFSO3N4H18C21 (1)
Stoich.:	ABCD3E4F18G21 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-84.29
Dipole, Da:	4.89
IP(EA), eV:	-9.11(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-ethoxyphenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3CC(=O)N(C3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations