Geometry & MOs

Info

ID:	324485
PubChem CID:	126677746
Reduced:	SN2O3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	397.155018
ΔH_f, kcal/mol:	-41.71
Dipole, Da:	3.07
IP(EA), eV:	-8.82(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-cyano-6-fluorophenyl)-4-(2-methylhydrazinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N2C3=C(C=CC(=C3)C(=O)O)NC2=S

DOS

IR

Vibrations