Geometry & MOs

Info

ID:	236660
PubChem CID:	92714371
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	373.142641
ΔH_f, kcal/mol:	-31.61
Dipole, Da:	3.6
IP(EA), eV:	-8.93(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations