Geometry & MOs

Info

ID:	435482
PubChem CID:	135191589
Reduced:	O3N4H12C18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	509.207447
ΔH_f, kcal/mol:	14.48
Dipole, Da:	5.26
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations