Geometry & MOs

Info

ID:	29272
PubChem CID:	832746
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	284.002241
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	9.83
IP(EA), eV:	-9.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamate

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

DOS

IR

Vibrations