Geometry & MOs

Info

ID:	89779
PubChem CID:	49964455
Reduced:	SN2O2Cl4H14C22 (1)
Stoich.:	AB2C2D4E14F22 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	64.14
Dipole, Da:	6.07
IP(EA), eV:	-8.31(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(4-hydroxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations