Geometry & MOs

Info

ID:	183514
PubChem CID:	77033341
Reduced:	ClSO2N4H11C12 (1)
Stoich.:	ABC2D4E11F12 (1)
Weight, g/mol:	287.072848
ΔH_f, kcal/mol:	21.31
Dipole, Da:	2.56
IP(EA), eV:	-9.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(=NO)N)C(=O)NCC2=CC=C(S2)Cl

DOS

IR

Vibrations