Geometry & MOs

Info

ID:	435473
PubChem CID:	135191571
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-80.3
Dipole, Da:	5.76
IP(EA), eV:	-8.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-2-(2,3-dihydroindol-1-yl)-5-[[5-[(Z)-ethylideneamino]-4-methyl-1H-pyrrol-3-yl]methylidene]-4-oxofuran-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(O/C(=C\C2=CNC3=C2CCC=N3)/C1=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations