Geometry & MOs

Info

ID:	43345
PubChem CID:	10321158
Reduced:	ClSO2F3N4H14C18 (1)
Stoich.:	ABC2D3E4F14G18 (1)
Weight, g/mol:	442.083268
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	8.06
IP(EA), eV:	-9.95(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[3-(5-chloropyridin-2-yl)-4-oxoquinazolin-2-yl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NC(=N2)C(F)(F)F)NN)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations