Geometry & MOs

Info

ID:	436285
PubChem CID:	135197481
Reduced:	SN2O2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	573.124896
ΔH_f, kcal/mol:	0.99
Dipole, Da:	1.23
IP(EA), eV:	-9.49(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-2-(methylamino)-8-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]pyridin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)NC(=C2C#N)SO

DOS

IR

Vibrations