Geometry & MOs

Info

ID:	440944
PubChem CID:	135232400
Reduced:	SO2N3C28H51 (1)
Stoich.:	AB2C3D28E51 (1)
Weight, g/mol:	554.375344
ΔH_f, kcal/mol:	-115.28
Dipole, Da:	3.84
IP(EA), eV:	-8.7(-0.66)
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-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C\NC(=NC(CSC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C(=O)O)N=C

DOS

IR

Vibrations