Geometry & MOs

Info

ID:	425677
PubChem CID:	135127316
Reduced:	F2N3O7H15C17 (1)
Stoich.:	A2B3C7D15E17 (1)
Weight, g/mol:	867.800338
ΔH_f, kcal/mol:	-319.5
Dipole, Da:	4.79
IP(EA), eV:	-9.5(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(octadecanoylamino)-3-octadecoxypropyl] N-[2-[[2-(3-methoxy-3-methylbutoxy)-2-methylpropyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

C1OC2=CC=CC(=C2O1)C(=O)NC3=NC(=O)N(C=C3)C4C([C@@H](C(O4)CO)O)(F)F

DOS

IR

Vibrations