Geometry & MOs

Info

ID:	441586
PubChem CID:	135236487
Reduced:	ClFO3N4H18C25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	620.078875
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	3.98
IP(EA), eV:	-8.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-ethoxyquinazolin-6-yl]-1-(dithiolan-3-yl)methanesulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C(=CNC2=CC1=O)C#N)NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations