Geometry & MOs

Info

ID:	372910
PubChem CID:	131306932
Reduced:	ClN2O2H3F4C7 (1)
Stoich.:	AB2C2D3E4F7 (1)
Weight, g/mol:	305.95256
ΔH_f, kcal/mol:	-254.39
Dipole, Da:	3.55
IP(EA), eV:	-10.56(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-3-(difluoromethoxy)-7-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1Cl)C(=O)N)F)OC(F)(F)F

DOS

IR

Vibrations