Geometry & MOs

Info

ID:	133159
PubChem CID:	51485783
Reduced:	SN2F3O3H14C16 (1)
Stoich.:	AB2C3D3E14F16 (1)
Weight, g/mol:	431.205636
ΔH_f, kcal/mol:	-210.9
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.104170
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)[N-]C1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations