Geometry & MOs

Info

ID:	205621
PubChem CID:	80127829
Reduced:	FNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	403.9046
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	1.73
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bromo-(4-bromo-2,6-difluorophenyl)methyl]-1,3-dihydro-2-benzofuran

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC2=C(C=C(C=C2)F)[C@@H](C)N)C

DOS

IR

Vibrations