Geometry & MOs

Info

ID:	30818
PubChem CID:	841967
Reduced:	NOSC18H21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	299.134385
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	2.3
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=CSC3=C2CCCC3

DOS

IR

Vibrations