Geometry & MOs

Info

ID:	268416
PubChem CID:	103599307
Reduced:	ClOSN5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	43.19
Dipole, Da:	2.19
IP(EA), eV:	-9.25(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC(C)C2=NC(=CS2)C3=CC=NC=C3)Cl

DOS

IR

Vibrations