Geometry & MOs

Info

ID:	79544
PubChem CID:	49828870
Reduced:	SN3O4C23H36 (1)
Stoich.:	AB3C4D23E36 (1)
Weight, g/mol:	444.146741
ΔH_f, kcal/mol:	-136.27
Dipole, Da:	10.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755589
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C3CCCCC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations