Geometry & MOs

Info

ID:	195927
PubChem CID:	78749704
Reduced:	N2S2O6C17H22 (1)
Stoich.:	A2B2C6D17E22 (1)
Weight, g/mol:	319.124215
ΔH_f, kcal/mol:	-245.4
Dipole, Da:	9.06
IP(EA), eV:	-9.63(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)CNC(=O)COC(=O)C1=CC=CC=C1SC2CCS(=O)(=O)C2

DOS

IR

Vibrations