Geometry & MOs

Info

ID:	440828
PubChem CID:	135231721
Reduced:	ClSN3O4C24H28 (1)
Stoich.:	ABC3D4E24F28 (1)
Weight, g/mol:	554.375344
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	7.92
IP(EA), eV:	-8.19(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CC1=CN=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C(C)(CC(=O)OC)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations