Geometry & MOs

Info

ID:	389400
PubChem CID:	134992708
Reduced:	IN4C7H7 (1)
Stoich.:	AB4C7D7 (1)
Weight, g/mol:	307.92734
ΔH_f, kcal/mol:	119.11
Dipole, Da:	4.05
IP(EA), eV:	-10.14(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-bromo-2-(4-chlorophenyl)sulfanylethyl] acetate

Drug info:

PubChemData

Smile

C1=CN=CC=C1C(CN=[N+]=[N-])I

DOS

IR

Vibrations