Geometry & MOs

Info

ID:	236604
PubChem CID:	92714216
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-75.24
Dipole, Da:	2.99
IP(EA), eV:	-8.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)OC

DOS

IR

Vibrations