Geometry & MOs

Info

ID:	339859
PubChem CID:	127261868
Reduced:	O2N9C22H33 (1)
Stoich.:	A2B9C22D33 (1)
Weight, g/mol:	469.413109
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	4.08
IP(EA), eV:	-9.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-(2-ethylhexyl) 4-O-hexadecan-4-yl (2S)-2-aminobutanedioate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N([C@@H](CCCN=C(N)N)C(=O)N)C(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations