Geometry & MOs

Info

ID:	214701
PubChem CID:	85083434
Reduced:	F2O3N4C33H42 (1)
Stoich.:	A2B3C4D33E42 (1)
Weight, g/mol:	580.282489
ΔH_f, kcal/mol:	-194.98
Dipole, Da:	4.64
IP(EA), eV:	-9.43(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2,2-dimethyl-4-[2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]phenyl]ethyl]-1,3-dioxane-5-carboxylate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(COCC3=CC=CC(=N3)CC)N)C

DOS

IR

Vibrations