Geometry & MOs

Info

ID:	34697
PubChem CID:	7978840
Reduced:	FSN2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	398.162391
ΔH_f, kcal/mol:	-163.77
Dipole, Da:	6.76
IP(EA), eV:	-9.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-methyl-1-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCC(=O)NC3=CC(=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations