Geometry & MOs

Info

ID:	305671
PubChem CID:	124964695
Reduced:	FON6C24H27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-8.64
Dipole, Da:	6.63
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@@H]2CCN(C2)C(=O)C3=NNC4=C3CCCCC4)NC5=NC=C(C=C5)F

DOS

IR

Vibrations