Geometry & MOs

Info

ID:	82355
PubChem CID:	49855930
Reduced:	SN2O5C32H36 (1)
Stoich.:	AB2C5D32E36 (1)
Weight, g/mol:	373.9476
ΔH_f, kcal/mol:	-132.1
Dipole, Da:	4.94
IP(EA), eV:	-8.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-bromophenoxy)ethoxy]-1,3-dichloro-5-methylbenzene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C[C@@H]2CN(C[C@H]1N2[C@H](C)C3=CC=CC=C3)CC4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations