Geometry & MOs

Info

ID:	79790
PubChem CID:	49830382
Reduced:	OSN6H18C20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	630.252544
ΔH_f, kcal/mol:	48.88
Dipole, Da:	5.41
IP(EA), eV:	-8.35(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC4=NC(=NC(=C34)N)N

DOS

IR

Vibrations