Geometry & MOs

Info

ID:	344232
PubChem CID:	127267408
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	307.087829
ΔH_f, kcal/mol:	20.08
Dipole, Da:	4.58
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-oxo-2-(propan-2-ylamino)ethoxy]-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)COC2=CC=CC=C2C3=NN=CN3C4=CC=CC=C4

DOS

IR

Vibrations