Geometry & MOs

Info

ID:	155369
PubChem CID:	56352980
Reduced:	Br2O2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	397.103103
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	2.73
IP(EA), eV:	-9.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylindol-5-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=C(C=C2)Br)C(=O)NCC3=CN4C=C(C=CC4=N3)Br

DOS

IR

Vibrations