Geometry & MOs

Info

ID:	221966
PubChem CID:	85293028
Reduced:	INSF3O3H9C11 (1)
Stoich.:	ABCD3E3F9G11 (1)
Weight, g/mol:	419.152829
ΔH_f, kcal/mol:	-217.26
Dipole, Da:	8.87
IP(EA), eV:	-10.34(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3,4-thiadiazol-2-yl]methylamino]-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C=C(CNC(=O)C(F)(F)F)I

DOS

IR

Vibrations