Geometry & MOs

Info

ID:	435492
PubChem CID:	135191612
Reduced:	F2O2N3H15C18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	325.106256
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	5.55
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C(=C(/C)\NC1=CC(=O)/C(=C/C2=CNC3=C2C=CC=N3)/O1)\F)/F

DOS

IR

Vibrations