Geometry & MOs

Info

ID:	267031
PubChem CID:	103580494
Reduced:	ClOSN2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	230.028062
ΔH_f, kcal/mol:	-27.16
Dipole, Da:	3.35
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)Cl)SCC2CCCO2

DOS

IR

Vibrations