Geometry & MOs

Info

ID:	211069
PubChem CID:	80893413
Reduced:	BrSN3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	252.050339
ΔH_f, kcal/mol:	59.87
Dipole, Da:	4.21
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=N1)SC2=CC=C(C=C2)Br

DOS

IR

Vibrations