Geometry & MOs

Info

ID:	209009
PubChem CID:	80611416
Reduced:	ClSO2N3C9H12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	6.2
IP(EA), eV:	-9.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1CCCN1CC2=NN=C(S2)Cl

DOS

IR

Vibrations