Geometry & MOs

Info

ID:	185233
PubChem CID:	77272705
Reduced:	FSO3N4H13C21 (1)
Stoich.:	ABC3D4E13F21 (1)
Weight, g/mol:	609.364184
ΔH_f, kcal/mol:	-23.96
Dipole, Da:	6.91
IP(EA), eV:	-9.28(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,2-dihydroxyethyl)-2,6-dioxocyclohexyl] hexadecanoate;2-(trimethylazaniumyl)ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

COC(=O)C1=NC=CC(=C1)SC2=NC3=C(N2)C4=C(C=C(C=C4)F)C5C3=CC=NC5=O

DOS

IR

Vibrations