Geometry & MOs

Info

ID:	236585
PubChem CID:	92714087
Reduced:	FSO3N4H13C18 (1)
Stoich.:	ABC3D4E13F18 (1)
Weight, g/mol:	365.083413
ΔH_f, kcal/mol:	11.94
Dipole, Da:	3.57
IP(EA), eV:	-9.28(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(1,3-benzodioxol-5-ylamino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC2=C([C@H](N(C2=O)CC3=CC=CS3)NC4=C(C=CC(=C4)[N+](=O)[O-])F)N=C1

DOS

IR

Vibrations