Geometry & MOs

Info

ID:	182175
PubChem CID:	76856180
Reduced:	ClFNOSH9C12 (1)
Stoich.:	ABCDEF9G12 (1)
Weight, g/mol:	419.01307
ΔH_f, kcal/mol:	3.92
Dipole, Da:	1.48
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-iodophenyl)-3-(4-oxo-4aH-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=NOCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations