Geometry & MOs

Info

ID:	49628
PubChem CID:	11533410
Reduced:	FSN4O5C24H25 (1)
Stoich.:	ABC4D5E24F25 (1)
Weight, g/mol:	500.184841
ΔH_f, kcal/mol:	-164.33
Dipole, Da:	5.66
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-methyl-3-(naphthalene-2-carbonyl)-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4

DOS

IR

Vibrations