Geometry & MOs

Info

ID:	14114
PubChem CID:	404716
Reduced:	ISO2N3H12C19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	472.96949
ΔH_f, kcal/mol:	61.78
Dipole, Da:	4.15
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-iodo-4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4

DOS

IR

Vibrations