Geometry & MOs

Info

ID:	174446
PubChem CID:	75764681
Reduced:	F2S2N3O4H11C16 (1)
Stoich.:	A2B2C3D4E11F16 (1)
Weight, g/mol:	391.129397
ΔH_f, kcal/mol:	-171.85
Dipole, Da:	4.4
IP(EA), eV:	-9.29(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-(2,4-dimethoxyphenyl)-5-oxo-1-phenyl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)NC(=O)CSC2=C(C3=NC(=O)C=C(C3S2)O)C(=O)N

DOS

IR

Vibrations