Geometry & MOs

Info

ID:	32210
PubChem CID:	6435936
Reduced:	IN3O3H16C23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	402.12628
ΔH_f, kcal/mol:	38.39
Dipole, Da:	3.42
IP(EA), eV:	-8.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3NC5=CC=CC=C5

DOS

IR

Vibrations