Geometry & MOs

Info

ID:	230004
PubChem CID:	87569857
Reduced:	BrO2N5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	132.060886
ΔH_f, kcal/mol:	53.36
Dipole, Da:	3.06
IP(EA), eV:	-9.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(3-methylbutyl) methanethioate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCN4C5=CC=CC=C5N=N4)Br

DOS

IR

Vibrations