Geometry & MOs

Info

ID:	247002
PubChem CID:	103066260
Reduced:	ClSN3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	200.017497
ΔH_f, kcal/mol:	33.46
Dipole, Da:	7.43
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enylsulfanyl]pyrimidine

Drug info:

PubChemData

Smile

C=C(CSC1=NN=C2N1CCCCC2)CCl

DOS

IR

Vibrations