Geometry & MOs

Info

ID:	315738
PubChem CID:	126628638
Reduced:	OSN2F3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-178.26
Dipole, Da:	7.47
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,5,8-tetramethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C(=O)N=C(N3)SCC(F)(F)F)C(C2)(C)C

DOS

IR

Vibrations