Geometry & MOs

Info

ID:	30821
PubChem CID:	841971
Reduced:	ON2S2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	309.118735
ΔH_f, kcal/mol:	9.61
Dipole, Da:	5.96
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CC3=CC=CS3

DOS

IR

Vibrations