Geometry & MOs

Info

ID:	69057
PubChem CID:	46516742
Reduced:	NSO6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	274.054277
ΔH_f, kcal/mol:	-229.02
Dipole, Da:	7.95
IP(EA), eV:	-9.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations