Geometry & MOs

Info

ID:	436613
PubChem CID:	135206101
Reduced:	ClSF3O4N5C16H17 (1)
Stoich.:	ABC3D4E5F16G17 (1)
Weight, g/mol:	705.627125
ΔH_f, kcal/mol:	-219.97
Dipole, Da:	3.0
IP(EA), eV:	-9.22(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-4-(hydroxymethyl)-5-methyl-3-[(Z)-octadec-9-enoyl]oxyhexan-3-yl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCOC(=O)OC(C)O/C(=N\C1=NN=NN1C)/C2=C(C(=C(C=C2)C(F)(F)F)SC)Cl

DOS

IR

Vibrations