Geometry & MOs

Info

ID:	51214
PubChem CID:	12013854
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	602.225759
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	2.17
IP(EA), eV:	-10.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5S)-1-chloro-1-ethenyl-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)thiolane

Drug info:

PubChemData

Smile

CC12C=C([C@@H]3C1([C@@H]3C(=C2)C(=O)N)C)C(=O)N

DOS

IR

Vibrations