Geometry & MOs

Info

ID:	184540
PubChem CID:	77174800
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	260.02343
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	4.02
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-heptylthiophene

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=S)NC(=O)C1=CC=CC=C1

DOS

IR

Vibrations