Geometry & MOs

Info

ID:	121599
PubChem CID:	50774544
Reduced:	ClFSO2N5H21C23 (1)
Stoich.:	ABCD2E5F21G23 (1)
Weight, g/mol:	482.21001
ΔH_f, kcal/mol:	-38.79
Dipole, Da:	6.33
IP(EA), eV:	-8.98(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NN=C4SCC5=C(C=CC=C5Cl)F

DOS

IR

Vibrations