Geometry & MOs

Info

ID:	17314
PubChem CID:	492812
Reduced:	ClOSN3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	279.023311
ΔH_f, kcal/mol:	24.62
Dipole, Da:	4.85
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-1-phenylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)Cl)N

DOS

IR

Vibrations