Geometry & MOs

Info

ID:	79793
PubChem CID:	49830419
Reduced:	ON6C29H30 (1)
Stoich.:	AB6C29D30 (1)
Weight, g/mol:	603.205259
ΔH_f, kcal/mol:	92.3
Dipole, Da:	2.11
IP(EA), eV:	-8.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[3-[5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C4=NC(=NC=C4)NC5=CC=CC(=C5)CCN(C)C

DOS

IR

Vibrations