Geometry & MOs

Info

ID:	194446
PubChem CID:	78537290
Reduced:	ClS2N3O3C16H18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	6.38
IP(EA), eV:	-9.08(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations