Geometry & MOs

Info

ID:	323160
PubChem CID:	126673100
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	507.230411
ΔH_f, kcal/mol:	55.36
Dipole, Da:	3.0
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3R)-3-[[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C1=NN2C(=NC=C2C3=CC=CC(=C3)CO)C=C1)C4=CC=CO4

DOS

IR

Vibrations