Geometry & MOs

Info

ID:	421096
PubChem CID:	135115378
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-14.64
Dipole, Da:	6.22
IP(EA), eV:	-8.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-2-methoxy-5-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC(=CS3)C(=O)N)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations