Geometry & MOs

Info

ID:	443652
PubChem CID:	135259670
Reduced:	SO5H14C21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	8.08
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-3-enamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(S3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations