Geometry & MOs

Info

ID:	440832
PubChem CID:	135231742
Reduced:	N5C18H35 (1)
Stoich.:	A5B18C35 (1)
Weight, g/mol:	554.375344
ΔH_f, kcal/mol:	-6.38
Dipole, Da:	6.45
IP(EA), eV:	-8.85(0.77)
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-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NCCCNCCCCN2C=C(N=C2)CCN

DOS

IR

Vibrations