Geometry & MOs

Info

ID:	421797
PubChem CID:	135116631
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	411.186815
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	6.06
IP(EA), eV:	-9.41(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations