Geometry & MOs

Info

ID:	31820
PubChem CID:	3719651
Reduced:	SCl2N3O3C23H27 (1)
Stoich.:	AB2C3D3E23F27 (1)
Weight, g/mol:	481.230074
ΔH_f, kcal/mol:	-86.87
Dipole, Da:	2.82
IP(EA), eV:	-8.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C=C1C2=CSC(=N2)COC3=CC(=CC(=C3)Cl)Cl)C(=O)NCCOC)C

DOS

IR

Vibrations