Geometry & MOs

Info

ID:	19279
PubChem CID:	559818
Reduced:	N2S2C7H14 (1)
Stoich.:	A2B2C7D14 (1)
Weight, g/mol:	190.059841
ΔH_f, kcal/mol:	-3.5
Dipole, Da:	2.91
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanyl-6-methyl-1,4,5,6-tetrahydropyrimidine-2-thiol

Drug info:

PubChemData

Smile

CCSC1CC(NC(=N1)S)C

DOS

IR

Vibrations