Geometry & MOs

Info

ID:	79791
PubChem CID:	49830416
Reduced:	SO2N8H34C35 (1)
Stoich.:	AB2C8D34E35 (1)
Weight, g/mol:	522.102958
ΔH_f, kcal/mol:	95.04
Dipole, Da:	5.89
IP(EA), eV:	-8.35(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=C1NC(=O)CC2=CC=CC=C2)C3=C(N4C=CSC4=N3)C5=NC(=NC=C5)NC6=CC(=CC=C6)N7CCOCC7

DOS

IR

Vibrations