Geometry & MOs

Info

ID:	143415
PubChem CID:	53205893
Reduced:	ClS2O3N5C21H24 (1)
Stoich.:	AB2C3D5E21F24 (1)
Weight, g/mol:	463.090345
ΔH_f, kcal/mol:	-49.93
Dipole, Da:	7.86
IP(EA), eV:	-8.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)OC)Cl)CC=C

DOS

IR

Vibrations