Geometry & MOs

Info

ID:	150313
PubChem CID:	53790001
Reduced:	BrON3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	481.178376
ΔH_f, kcal/mol:	46.28
Dipole, Da:	3.7
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-N-(1H-indol-5-yl)-6-methoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

CN(C)CCCOC1=NN(C(=C1)CC2=CC=CC=C2)CC3=CC(=CC=C3)Br

DOS

IR

Vibrations