Geometry & MOs

Info

ID:	43528
PubChem CID:	10321425
Reduced:	FO3N4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	448.109293
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	2.04
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methoxy-4-oxo-2-phenylchromen-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-oxobutanamide

Drug info:

PubChemData

Smile

C1COCCN1CCN2C(=O)COC3=C2C=C(C=C3)C4=CC(=NC=C4)NC5=CC(=CC=C5)F

DOS

IR

Vibrations