Geometry & MOs

Info

ID:	435468
PubChem CID:	135191557
Reduced:	O3N4H12C18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	400.17467
ΔH_f, kcal/mol:	11.78
Dipole, Da:	2.91
IP(EA), eV:	-9.13(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-3-hydroxy-5-[(3-hydroxypiperidin-1-yl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(NC=C2/C=C\3/C(=O)C(=C(O3)NC4=CC=NC=C4)C=O)N=C1

DOS

IR

Vibrations