Geometry & MOs

Info

ID:	246853
PubChem CID:	103065132
Reduced:	ClON2S2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	293.065654
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	4.58
IP(EA), eV:	-8.36(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-methyl-N-(thiolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=C(C3=C(S2)C=CC=C3Cl)N

DOS

IR

Vibrations