Geometry & MOs

Info

ID:	243854
PubChem CID:	99289399
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	393.99868
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	2.98
IP(EA), eV:	-8.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(CC2)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations