Geometry & MOs

Info

ID:	374567
PubChem CID:	131331600
Reduced:	BrN2O3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	293.93257
ΔH_f, kcal/mol:	-108.56
Dipole, Da:	3.35
IP(EA), eV:	-8.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)N)[C@@H]([C@@H](C(=O)O)O)N

DOS

IR

Vibrations