Geometry & MOs

Info

ID:	121578
PubChem CID:	50774057
Reduced:	OSN4H20C24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	86.0
Dipole, Da:	4.85
IP(EA), eV:	-8.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfanyl-7-methyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC5=CC=CC=C5

DOS

IR

Vibrations