Geometry & MOs

Info

ID:	443676
PubChem CID:	135259735
Reduced:	SO2N6H16C17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	467.47023
ΔH_f, kcal/mol:	42.79
Dipole, Da:	8.45
IP(EA), eV:	-8.71(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(octadecylamino)dodecanoic acid

Drug info:

PubChemData

Smile

CC1(C=CC2=C(N1)C=CC(=C2)C(=O)O)CSC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations