Geometry & MOs

Info

ID:	23190
PubChem CID:	602744
Reduced:	SN4C7H10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	182.062618
ΔH_f, kcal/mol:	39.17
Dipole, Da:	3.51
IP(EA), eV:	-9.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N=C(N)S)C

DOS

IR

Vibrations