Geometry & MOs

Info

ID:	236558
PubChem CID:	92713949
Reduced:	BrO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	377.137556
ΔH_f, kcal/mol:	25.68
Dipole, Da:	2.32
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(7S)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations