Geometry & MOs

Info

ID:	121629
PubChem CID:	50775216
Reduced:	O4N5C27H31 (1)
Stoich.:	A4B5C27D31 (1)
Weight, g/mol:	489.183461
ΔH_f, kcal/mol:	-110.17
Dipole, Da:	3.62
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-5-oxo-1-phenacylsulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)N3C4=C(C=CC(=C4)C(=O)NCC(C)C)C(=O)N(C3=N2)C(C)C

DOS

IR

Vibrations