Geometry & MOs

Info

ID:	54688
PubChem CID:	17389105
Reduced:	SO4N5H17C19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	445.084475
ΔH_f, kcal/mol:	-94.66
Dipole, Da:	8.07
IP(EA), eV:	-8.64(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NC2=C1C(=C(S2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O)N)N)C#N

DOS

IR

Vibrations