Geometry & MOs

Info

ID:	140940
PubChem CID:	52786718
Reduced:	N2O2F3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-235.27
Dipole, Da:	3.79
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-amino-2-oxoethyl)-[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)N2CCCC2)C(=O)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations