Geometry & MOs

Info

ID:	136416
PubChem CID:	52036777
Reduced:	ON6H22C26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	409.193632
ΔH_f, kcal/mol:	102.75
Dipole, Da:	6.56
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]sulfanyl-N-methyl-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]1NC(=O)CNC3=NC4=CC=CC=C4N5C3=NN=C5C6=CC=CC=C6

DOS

IR

Vibrations