Geometry & MOs

Info

ID:	54275
PubChem CID:	16957321
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	395.12161
ΔH_f, kcal/mol:	-23.74
Dipole, Da:	4.8
IP(EA), eV:	-8.85(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluorophenyl)-5-methyl-2-methylsulfanyl-N-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(N2C(=N1)N=C(N2)SC)C3=CC=C(C=C3)OC)C(=O)OC

DOS

IR

Vibrations