Geometry & MOs

Info

ID:	171715
PubChem CID:	75416479
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	299.064986
ΔH_f, kcal/mol:	-92.36
Dipole, Da:	7.1
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfonylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)N(C)CC3=CC(=CC=C3)O

DOS

IR

Vibrations