Geometry & MOs

Info

ID:	405744
PubChem CID:	135075289
Reduced:	NSO4C23H25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	342.02554
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	3.13
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-methylphenoxy)methyl]-5-phenylfuran

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1SC2=C(C3=CC=CC=C3N2)CC(C(=O)OC)C(=O)OC

DOS

IR

Vibrations