Geometry & MOs

Info

ID:	84466
PubChem CID:	49866520
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	404.115441
ΔH_f, kcal/mol:	5.74
Dipole, Da:	4.04
IP(EA), eV:	-8.36(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2R)-1-ethoxy-1,3-dioxobutan-2-yl]sulfanyl-1,2-dihydrotriazolo[1,5-a]quinazoline-3-carboxylate

Drug info:

PubChemData

Smile

C/C(=C/C1=COC2=NC(=NC(=C12)N)N)/C3=CC=CC=C3O

DOS

IR

Vibrations