Geometry & MOs

Info

ID:	140381
PubChem CID:	52688675
Reduced:	N3O6H23C24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	399.08735
ΔH_f, kcal/mol:	-126.34
Dipole, Da:	7.24
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)C(=O)COC4=CC=C(C=C4)NC(=O)OC

DOS

IR

Vibrations