Geometry & MOs

Info

ID:

440114

PubChem CID:

135230014

Reduced:

NOSH27C37 (1)

Stoich.:

ABCD27E37 (1)

Weight, g/mol:

636.255534

ΔHf, kcal/mol:

169.61

Dipole, Da:

3.51

IP(EA), eV:

 -7.29(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-1-[[1-(2,2,4,4,5,5-hexamethylhexyl)cyclopentanecarbonyl]amino]ethanesulfinic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4S(C5=CC=CC=C53)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations