Geometry & MOs

Info

ID:	201658
PubChem CID:	79566671
Reduced:	BrNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-164.49
Dipole, Da:	4.79
IP(EA), eV:	-10.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenoxy-3-propan-2-yloxypropan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)S(=O)(=O)NCC(C)(C)C)C(=O)O

DOS

IR

Vibrations