Geometry & MOs

Info

ID:	123390
PubChem CID:	50845507
Reduced:	SO2N3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	484.208611
ΔH_f, kcal/mol:	26.37
Dipole, Da:	6.23
IP(EA), eV:	-8.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations