Geometry & MOs

Info

ID:	435485
PubChem CID:	135191600
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	519.00913
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	0.97
IP(EA), eV:	-8.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\N(C)CCN(C)C)/O/C(=C\C1=CNC2=C1C=CC=N2)/C=O)/C

DOS

IR

Vibrations