Geometry & MOs

Info

ID:

47352

PubChem CID:

10531800

Reduced:

OF2N2H36C41 (1)

Stoich.:

AB2C2D36E41 (1)

Weight, g/mol:

611.187226

ΔHf, kcal/mol:

-26.84

Dipole, Da:

3.54

IP(EA), eV:

 -9.11(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-1-[4-[2-(benzhydrylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]([C@@H]2[C@H](N(C(=O)N2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5)[C@H](CC7=CC=CC=C7)F)F

DOS

IR

Vibrations