Geometry & MOs

Info

ID:	147072
PubChem CID:	53786678
Reduced:	O3C23H34 (1)
Stoich.:	A3B23C34 (1)
Weight, g/mol:	501.396414
ΔH_f, kcal/mol:	-170.79
Dipole, Da:	4.75
IP(EA), eV:	-9.29(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-2-amino-3-octadecylsulfanylpropanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC(C(=O)C4)C)C)C

DOS

IR

Vibrations