Geometry & MOs

Info

ID:	33619
PubChem CID:	7887242
Reduced:	OS2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	16.9
Dipole, Da:	0.62
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@H](C)C(=O)N(C)CC3=CC=CC=C3)C

DOS

IR

Vibrations