Geometry & MOs

Info

ID:	46954
PubChem CID:	10528635
Reduced:	NSO3C29H35 (1)
Stoich.:	ABC3D29E35 (1)
Weight, g/mol:	477.358487
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	2.45
IP(EA), eV:	-8.57(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4-dodecoxy-2-heptanoyloxy-4-oxobutyl]-trimethylazanium;chloride

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(S2)C3CCCCC3)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

DOS

IR

Vibrations