Geometry & MOs

Info

ID:	394484
PubChem CID:	135023082
Reduced:	N3O4C16H21 (2)
Stoich.:	A3B4C16D21 (2)
Weight, g/mol:	592.282489
ΔH_f, kcal/mol:	-259.56
Dipole, Da:	7.04
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8R)-3-methyl-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-3-ene

Drug info:

PubChemData

Smile

CCOC(=O)NN(C1CC=C[C@H]1C2=CC=CC(=C2C3=NC=C(N3)C)C4C=CCC4N(C(=O)OCC)NC(=O)OCC)C(=O)OCC

DOS

IR

Vibrations