Geometry & MOs

Info

ID:	320721
PubChem CID:	126663102
Reduced:	SO2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	569.325357
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	6.63
IP(EA), eV:	-9.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[8-(4-cyclohexa-1,5-dien-1-yl-4-oxobutyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\S(=O)(=O)/C(=C/C=C)/C=C

DOS

IR

Vibrations