Geometry & MOs

Info

ID:	164047
PubChem CID:	74381651
Reduced:	BrOSF3N4C22H24 (1)
Stoich.:	ABCD3E4F22G24 (1)
Weight, g/mol:	355.0354
ΔH_f, kcal/mol:	-130.36
Dipole, Da:	5.76
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[4-(dimethylamino)butyl]-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCC1=C(C=C(S1)C(=O)NC(CC2=CC=CC=C2C(F)(F)F)CN)C3=C(C=NN3C)Br

DOS

IR

Vibrations