Geometry & MOs

Info

ID:	16477
PubChem CID:	470518
Reduced:	ClOSN4C12H17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	300.08116
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	4.51
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-N,N-diethylbut-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C=CCSC1=NC(=CC(=N1)Cl)N

DOS

IR

Vibrations