Geometry & MOs

Info

ID:	381024
PubChem CID:	134971649
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	3.66
IP(EA), eV:	-8.35(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-methylidene-3'-[(2-methylpropan-2-yl)oxy]spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@@](=O)CC23CCC(=O)CC2[C@H](CCN3)O

DOS

IR

Vibrations