Geometry & MOs

Info

ID:	13639
PubChem CID:	396436
Reduced:	SO2N4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	270.115047
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	7.44
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidothioic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(=NCCCNC)S

DOS

IR

Vibrations