Geometry & MOs

Info

ID:	435502
PubChem CID:	135191643
Reduced:	O2N3C14H15 (2)
Stoich.:	A2B3C14D15 (2)
Weight, g/mol:	430.164105
ΔH_f, kcal/mol:	50.05
Dipole, Da:	7.46
IP(EA), eV:	-8.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-2-[4-(2-iminoethyl)-2-methylanilino]-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carboxylate

Drug info:

PubChemData

Smile

CCONOC1=C(O/C(=C\C2=CNC3=C2C=CC=N3)/C1=O)NC4=C(C=C(C=C4)C#CCN5CCNCC5)C

DOS

IR

Vibrations