Geometry & MOs

Info

ID:	320718
PubChem CID:	126663090
Reduced:	SO2F5C14H17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	567.284555
ΔH_f, kcal/mol:	-349.45
Dipole, Da:	6.45
IP(EA), eV:	-10.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-oxo-8-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C)C(C(C)(C)C(F)(F)F)(F)F

DOS

IR

Vibrations