Geometry & MOs

Info

ID:	324407
PubChem CID:	126677608
Reduced:	NS2O4C12H21 (1)
Stoich.:	AB2C4D12E21 (1)
Weight, g/mol:	232.113316
ΔH_f, kcal/mol:	-183.76
Dipole, Da:	5.66
IP(EA), eV:	-8.84(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-hydroxy-7-sulfanylhept-4-enoate

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)O)NC(=O)CC(/C=C/CCS)O

DOS

IR

Vibrations