Geometry & MOs

Info

ID:	121597
PubChem CID:	50774471
Reduced:	FSO2N5C22H22 (1)
Stoich.:	ABC2D5E22F22 (1)
Weight, g/mol:	479.142739
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	5.66
IP(EA), eV:	-9.21(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-1-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN=C(N23)SCC4=CC(=CC=C4)F)C

DOS

IR

Vibrations