Geometry & MOs

Info

ID:	57623
PubChem CID:	22426432
Reduced:	FSO2N4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	420.138675
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	4.29
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(3-chlorophenyl)-5-methyl-2-pentylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=C(C=C5)F

DOS

IR

Vibrations