Geometry & MOs

Info

ID:	276019
PubChem CID:	103819986
Reduced:	ClSO2N3C9H14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	4.11
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=C(C(=O)NN=C1)Cl

DOS

IR

Vibrations