Geometry & MOs

Info

ID:	135499
PubChem CID:	51881762
Reduced:	SN2O5C23H32 (1)
Stoich.:	AB2C5D23E32 (1)
Weight, g/mol:	444.02333
ΔH_f, kcal/mol:	-207.92
Dipole, Da:	9.7
IP(EA), eV:	-9.27(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@@H]4[C@@H]3CCCC4

DOS

IR

Vibrations