Geometry & MOs

Info

ID:	69660
PubChem CID:	47205103
Reduced:	SO2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	257.062283
ΔH_f, kcal/mol:	20.28
Dipole, Da:	4.57
IP(EA), eV:	-9.28(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=NC(=CS2)CC(=O)NCC3=CC=NN3

DOS

IR

Vibrations