Geometry & MOs

Info

ID:	375664
PubChem CID:	134220725
Reduced:	SO2N6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	368.202131
ΔH_f, kcal/mol:	18.68
Dipole, Da:	10.21
IP(EA), eV:	-8.54(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)sulfinyloxybutyl 2-tert-butylpentanoate

Drug info:

PubChemData

Smile

CCN(C=O)C1=C(N(C(=N1)CC2=CN3C=C(SC3=N2)C)CC4=CC=CC=C4)C(=O)NC

DOS

IR

Vibrations