Geometry & MOs

Info

ID:	228174
PubChem CID:	87563596
Reduced:	BrOSN3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	748.525436
ΔH_f, kcal/mol:	6.96
Dipole, Da:	10.14
IP(EA), eV:	-8.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(Z,2S)-2-hexadecanoyloxy-1-hydroxy-4-oxohenicos-12-en-3-yl]oxy-2,3-dihydroxypropyl]phosphonic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N)Br

DOS

IR

Vibrations