Geometry & MOs

Info

ID:	158102
PubChem CID:	56462986
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	391.099063
ΔH_f, kcal/mol:	-42.97
Dipole, Da:	3.82
IP(EA), eV:	-9.68(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations