Geometry & MOs

Info

ID:	121459
PubChem CID:	50768656
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	62.09
Dipole, Da:	7.38
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[[4-(2-methylpropyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=C(C=NC3=CC=CC=C32)C#N

DOS

IR

Vibrations