Geometry & MOs

Info

ID:	418583
PubChem CID:	135105911
Reduced:	SN2O5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	3.7
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)OC

DOS

IR

Vibrations