Geometry & MOs

Info

ID:	236528
PubChem CID:	92713800
Reduced:	FN3O3H18C22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	391.13322
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	4.54
IP(EA), eV:	-9.14(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations