Geometry & MOs

Info

ID:	268418
PubChem CID:	103599311
Reduced:	OSN5H19C22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	106.44
Dipole, Da:	3.77
IP(EA), eV:	-9.14(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CC=NC=C2)NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations