Geometry & MOs

Info

ID:	268422
PubChem CID:	103599321
Reduced:	ClOSN5H16C20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	87.66
Dipole, Da:	3.36
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CN=CC=C2)NC(=O)C=CC3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations