Geometry & MOs

Info

ID:	300232
PubChem CID:	121269894
Reduced:	ClFNSO2H9C15 (1)
Stoich.:	ABCDE2F9G15 (1)
Weight, g/mol:	411.059753
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	4.8
IP(EA), eV:	-9.07(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzyl-8-chloro-4-oxoquinazolin-7-yl)-N-(trifluoromethoxy)acetamide

Drug info:

PubChemData

Smile

C1C(C2=C(S1)C=CC(=C2C#N)OC3=CC(=CC(=C3)Cl)F)O

DOS

IR

Vibrations