Geometry & MOs

Info

ID:	312636
PubChem CID:	126607053
Reduced:	SN3O5C10H19 (1)
Stoich.:	AB3C5D10E19 (1)
Weight, g/mol:	446.00845
ΔH_f, kcal/mol:	-213.18
Dipole, Da:	2.18
IP(EA), eV:	-9.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]methyl]-5-fluoro-1,3-dihydro-2-benzofuran

Drug info:

PubChemData

Smile

CCNC(NC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O)O

DOS

IR

Vibrations