Geometry & MOs

Info

ID:	440866
PubChem CID:	135231911
Reduced:	SN2O5C23H38 (1)
Stoich.:	AB2C5D23E38 (1)
Weight, g/mol:	540.359694
ΔH_f, kcal/mol:	-236.35
Dipole, Da:	7.89
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(1R)-1-carboxy-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylethyl]carbamoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)O)C(=O)NC(CSC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)O

DOS

IR

Vibrations