Geometry & MOs

Info

ID:	312756
PubChem CID:	126608221
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	353.05826
ΔH_f, kcal/mol:	26.58
Dipole, Da:	5.37
IP(EA), eV:	-8.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=C(C3=C(C=C(N=C3S2)C)COC)NN=NC=O)C

DOS

IR

Vibrations