Geometry & MOs

Info

ID:	22027
PubChem CID:	595544
Reduced:	ClOSN2C7H9 (1)
Stoich.:	ABCD2E7F9 (1)
Weight, g/mol:	204.012412
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	5.37
IP(EA), eV:	-9.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-propylsulfanyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCCSC1=NC=C(C(=O)N1)Cl

DOS

IR

Vibrations