Geometry & MOs

Info

ID:	22497
PubChem CID:	597377
Reduced:	SO2C22H42 (1)
Stoich.:	AB2C22D42 (1)
Weight, g/mol:	370.290552
ΔH_f, kcal/mol:	-174.51
Dipole, Da:	1.74
IP(EA), eV:	-9.28(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl 12-hydroxyoctadec-9-enethioate

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCCCCCCCC(=O)SC(C)(C)C)O

DOS

IR

Vibrations