Geometry & MOs

Info

ID:

187106

PubChem CID:

77530340

Reduced:

SCl2O5N6C22H24 (1)

Stoich.:

AB2C5D6E22F24 (1)

Weight, g/mol:

500.043644

ΔHf, kcal/mol:

-134.48

Dipole, Da:

3.01

IP(EA), eV:

 -8.71(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)C)C2=C(SC(=N2)N3CCC(C(C3)OC)NC(=O)C4=C(C(=C(N4)C)Cl)Cl)OC(=O)O

DOS

IR

Vibrations