Geometry & MOs

Info

ID:	435487
PubChem CID:	135191606
Reduced:	FN3O3H14C20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	564.03282
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	4.11
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[iodo(methyl)amino]ethyl (5Z)-2-[methyl(thiophen-2-ylmethyl)amino]-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC2=C(C(=O)/C(=C/C3=CNC4=C3C=CC=N4)/O2)C=O

DOS

IR

Vibrations