Geometry & MOs

Info

ID:	184995
PubChem CID:	77239085
Reduced:	SN3O3F4C23H27 (1)
Stoich.:	AB3C3D4E23F27 (1)
Weight, g/mol:	554.173913
ΔH_f, kcal/mol:	-272.41
Dipole, Da:	7.84
IP(EA), eV:	-8.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-2-(2,6-dichlorophenyl)-4-(1-hydroxy-2-phenylethyl)-5-oxo-3-(1-phenylethyl)imidazolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2=CNN(C2=CC3=C1C(CC3)CN(CC(C)O)S(=O)(=O)CC(F)(F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations