Geometry & MOs

Info

ID:	141372
PubChem CID:	52869433
Reduced:	O2F3N3C17H20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	436.051127
ΔH_f, kcal/mol:	-216.26
Dipole, Da:	1.45
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-amino-3-nitrophenyl)sulfamoyl]-3-methylthieno[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=NN(C(=O)CC2)C

DOS

IR

Vibrations