Geometry & MOs

Info

ID:	449837
PubChem CID:	135302031
Reduced:	ClN2O7C16H25 (1)
Stoich.:	AB2C7D16E25 (1)
Weight, g/mol:	823.799275
ΔH_f, kcal/mol:	-302.99
Dipole, Da:	3.72
IP(EA), eV:	-9.79(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecan-9-yl 8-[(8-heptadecan-9-yloxy-8-hydroxyoctyl)-(2-hydroxyethyl)amino]octanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H]([C@@H]1CC(=NO1)Cl)NC(=O)OC(C)OC(=O)C(C)(C)C

DOS

IR

Vibrations