Geometry & MOs

Info

ID:	121442
PubChem CID:	50768154
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	467.113747
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	0.43
IP(EA), eV:	-9.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NCCC3=CC=CO3

DOS

IR

Vibrations