Geometry & MOs

Info

ID:	184095
PubChem CID:	77107781
Reduced:	FSN2O3H11C18 (1)
Stoich.:	ABC2D3E11F18 (1)
Weight, g/mol:	589.26646
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	5.49
IP(EA), eV:	-9.46(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-methyl-4-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]-N-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)C=CS3(=O)=O

DOS

IR

Vibrations