Geometry & MOs

Info

ID:	298465
PubChem CID:	117650015
Reduced:	NH17C21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	524.129647
ΔH_f, kcal/mol:	67.09
Dipole, Da:	1.7
IP(EA), eV:	-8.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-chloro-8-(2-hydroxyethoxy)-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC(=C2)N)C=C1C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations