Geometry & MOs

Info

ID:	438272
PubChem CID:	135228002
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	558.333873
ΔH_f, kcal/mol:	-74.93
Dipole, Da:	2.57
IP(EA), eV:	-9.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[bis(carboxymethyl)carbamoylamino]-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations