Geometry & MOs

Info

ID:	244263
PubChem CID:	99319619
Reduced:	N2S2O3C21H24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	383.093977
ΔH_f, kcal/mol:	-80.65
Dipole, Da:	1.84
IP(EA), eV:	-8.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-[2-[(2-phenylacetyl)amino]ethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC=C(C=C2)OCC(=O)NCCNC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations