Geometry & MOs

Info

ID:	214442
PubChem CID:	84986991
Reduced:	SO2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	534.27701
ΔH_f, kcal/mol:	46.72
Dipole, Da:	2.78
IP(EA), eV:	-9.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5'-methyl-1,11-bis(phenylmethoxy)-2'-propan-2-ylspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=NN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations