Geometry & MOs

Info

ID:	138166
PubChem CID:	52322218
Reduced:	SF3H5N6C8 (1)
Stoich.:	AB3C5D6E8 (1)
Weight, g/mol:	405.167514
ΔH_f, kcal/mol:	15.03
Dipole, Da:	1.93
IP(EA), eV:	-10.13(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethylcarbamoyl]quinazolin-4-olate

Drug info:

PubChemData

Smile

CC1=NN=CC1=C2NN3C(=NN=C3S2)C(F)(F)F

DOS

IR

Vibrations