Geometry & MOs

Info

ID:	54274
PubChem CID:	16957311
Reduced:	ClSO2N4C16H17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	6.49
Dipole, Da:	5.2
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-7-(4-methoxyphenyl)-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(N2C(=N1)N=C(N2)SC)C3=CC=CC=C3Cl)C(=O)OC

DOS

IR

Vibrations