Geometry & MOs

Info

ID:

163731

PubChem CID:

58874710

Reduced:

SN3O5H37C39 (1)

Stoich.:

AB3C5D37E39 (1)

Weight, g/mol:

691.207625

ΔHf, kcal/mol:

-114.49

Dipole, Da:

1.5

IP(EA), eV:

 -8.54(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(benzenesulfonyl)-3-[3-[4-[methyl(3-methylbutyl)amino]-3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H](C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations