Geometry & MOs

Info

ID:	197669
PubChem CID:	78986315
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	351.87036
ΔH_f, kcal/mol:	-7.4
Dipole, Da:	2.36
IP(EA), eV:	-8.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibromo-N-(1-cyanopropan-2-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC#N)NC(=O)C1CC2=CC=CC=C2S1

DOS

IR

Vibrations