Geometry & MOs

Info

ID:	184357
PubChem CID:	77150492
Reduced:	NaC6O7H10 (1)
Stoich.:	AB6C7D10 (1)
Weight, g/mol:	591.331979
ΔH_f, kcal/mol:	-348.71
Dipole, Da:	6.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761119
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethoxypropan-2-yl)-3-[4-ethyl-2-fluoro-5-(3-methoxypropoxy)phenyl]-7,7-dimethyl-2,9-dioxo-8-oxa-3,10-diazatricyclo[8.3.1.04,6]tetradecane-12-carboxamide

Drug info:

PubChemData

Smile

C1(C(C(OC(C1O)O)C(=O)O)O)O.[Na]

DOS

IR

Vibrations