Geometry & MOs

Info

ID:	236586
PubChem CID:	92714091
Reduced:	SN3O3H15C19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	346.088832
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	2.71
IP(EA), eV:	-8.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)N[C@@H]3C4=C(C=CC=N4)C(=O)N3CC5=CC=CS5

DOS

IR

Vibrations