Geometry & MOs

Info

ID:	204513
PubChem CID:	79975185
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	395.88175
ΔH_f, kcal/mol:	35.72
Dipole, Da:	4.31
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(4-bromo-2,5-difluorophenyl)methyl]-3-ethylthiophene

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C2=NC(=NO2)C(C)N

DOS

IR

Vibrations