Geometry & MOs

Info

ID:	237391
PubChem CID:	92719029
Reduced:	SO3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	2.07
IP(EA), eV:	-8.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-(3-methoxypropyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C1=CC=CC=C1)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CCCOC

DOS

IR

Vibrations