Geometry & MOs

Info

ID:	23186
PubChem CID:	602740
Reduced:	SN4C7H10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	182.062618
ΔH_f, kcal/mol:	47.41
Dipole, Da:	2.9
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-amino-2-methylpyrimidin-4-yl)methyl]methanimidothioic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N)CN=CS

DOS

IR

Vibrations