Geometry & MOs

Info

ID:

187099

PubChem CID:

77530333

Reduced:

NC29H49 (1)

Stoich.:

AB29C49 (1)

Weight, g/mol:

540.074944

ΔHf, kcal/mol:

-75.57

Dipole, Da:

2.57

IP(EA), eV:

 -9.07(1.46)

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-(5-methylpyrazin-2-yl)-1,3-thiazol-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC(=C)C1CCC2C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)N)C

DOS

IR

Vibrations