Geometry & MOs

Info

ID:	31937
PubChem CID:	3724265
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	391.218115
ΔH_f, kcal/mol:	-15.15
Dipole, Da:	5.38
IP(EA), eV:	-9.28(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-tert-butyl-2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(=O)NN=C1CC2C1CC=C2

DOS

IR

Vibrations