Geometry & MOs

Info

ID:	169691
PubChem CID:	75136901
Reduced:	FS2O3N4C23H27 (1)
Stoich.:	AB2C3D4E23F27 (1)
Weight, g/mol:	416.115441
ΔH_f, kcal/mol:	-115.56
Dipole, Da:	6.51
IP(EA), eV:	-9.19(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dioxo-1,3-diazinan-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NN=C(S3)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations