Geometry & MOs

Info

ID:	229970
PubChem CID:	87569743
Reduced:	BrNO11C27H28 (1)
Stoich.:	ABC11D27E28 (1)
Weight, g/mol:	268.007326
ΔH_f, kcal/mol:	-417.04
Dipole, Da:	5.26
IP(EA), eV:	-8.98(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3-methylsulfonylphenyl)pyrimidine

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NBr)O

DOS

IR

Vibrations