Geometry & MOs

Info

ID:	49736
PubChem CID:	11533686
Reduced:	N8C31H34 (1)
Stoich.:	A8B31C34 (1)
Weight, g/mol:	518.235162
ΔH_f, kcal/mol:	156.39
Dipole, Da:	1.93
IP(EA), eV:	-8.29(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NN1)C3=NC(=C(N=N3)NCC4=CC(=CC=C4)C5=CC=CC=C5)N6CCN[C@H](C6)C(C)C

DOS

IR

Vibrations