Geometry & MOs

Info

ID:	30822
PubChem CID:	841972
Reduced:	NOSC19H19 (1)
Stoich.:	ABCD19E19 (1)
Weight, g/mol:	309.118735
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	3.34
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@@H](C)NC(=O)C2=CSC3=CC=CC=C32

DOS

IR

Vibrations