Geometry & MOs

Info

ID:	18446
PubChem CID:	541067
Reduced:	ClSN2O4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	370.075406
ΔH_f, kcal/mol:	-160.04
Dipole, Da:	3.33
IP(EA), eV:	-8.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-acetamido-7-chloro-6-[(2-hydroxyethylamino)methyl]-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)CNCCO)Cl)NC(=O)C

DOS

IR

Vibrations