Geometry & MOs

Info

ID:	32211
PubChem CID:	6435938
Reduced:	OSN6H18C21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	484.03962
ΔH_f, kcal/mol:	127.23
Dipole, Da:	4.12
IP(EA), eV:	-9.26(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4E)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]-2-ethyl-6-iodoquinazolin-4-one

Drug info:

PubChemData

Smile

CCN=NCC1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations