Geometry & MOs

Info

ID:	53598
PubChem CID:	14716867
Reduced:	SO2C28H40 (1)
Stoich.:	AB2C28D40 (1)
Weight, g/mol:	440.274902
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	2.14
IP(EA), eV:	-8.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C[C@H](C)CC

DOS

IR

Vibrations