Geometry & MOs

Info

ID:	32214
PubChem CID:	6435944
Reduced:	Cl2N2O3H18C24 (1)
Stoich.:	A2B2C3D18E24 (1)
Weight, g/mol:	513.162332
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	2.32
IP(EA), eV:	-8.84(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(N-phenylanilino)methyl]-1,3,4-thiadiazol-2-yl]-2-[(E)-2-phenylethenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3Cl)Cl)C(=O)N2CCC4=CC(=C(C=C4)O)O

DOS

IR

Vibrations