Geometry & MOs

Info

ID:	380700
PubChem CID:	134971227
Reduced:	NO5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	337.134779
ΔH_f, kcal/mol:	-233.67
Dipole, Da:	3.51
IP(EA), eV:	-9.99(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-hydroxy-4-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCCCCC(=O)C/C=C/C[C@H]1C(C(C(=O)O1)(CO)N)O

DOS

IR

Vibrations