Geometry & MOs

Info

ID:	405672
PubChem CID:	135074916
Reduced:	BrClOSH10C13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	341.150132
ΔH_f, kcal/mol:	15.78
Dipole, Da:	3.93
IP(EA), eV:	-8.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-[1,3-bis(phenylmethoxy)propan-2-yloxy]-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations