Geometry & MOs

Info

ID:	49819
PubChem CID:	11533907
Reduced:	O4F6C27H34 (1)
Stoich.:	A4B6C27D34 (1)
Weight, g/mol:	536.25696
ΔH_f, kcal/mol:	-493.71
Dipole, Da:	0.86
IP(EA), eV:	-8.9(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)CCC(C(F)(F)F)(C(F)(F)F)O)C)C2=CC(=C(C=C2)OC[C@H](CO)O)C

DOS

IR

Vibrations