Geometry & MOs

Info

ID:	33604
PubChem CID:	7887141
Reduced:	NSO3H13C17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	336.056863
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	4.53
IP(EA), eV:	-8.87(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations