Geometry & MOs

Info

ID:	53597
PubChem CID:	14716865
Reduced:	OC15H19 (2)
Stoich.:	AB15C19 (2)
Weight, g/mol:	440.274902
ΔH_f, kcal/mol:	-63.01
Dipole, Da:	2.64
IP(EA), eV:	-8.58(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[(2R)-2-methylbutyl]phenyl] 4-decoxybenzenecarbothioate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=C(C=C3)CCCCC

DOS

IR

Vibrations