Geometry & MOs

Info

ID:	128462
PubChem CID:	51045398
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	250.033147
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	2.36
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2,5-dimethylphenyl)sulfanylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CC2C(=O)NC3=CC=CC=C3N2

DOS

IR

Vibrations