Geometry & MOs

Info

ID:

187092

PubChem CID:

77529987

Reduced:

NO5C43H77 (1)

Stoich.:

AB5C43D77 (1)

Weight, g/mol:

517.050207

ΔHf, kcal/mol:

-293.77

Dipole, Da:

6.55

IP(EA), eV:

 -8.5(0.2)

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-fluoropiperidin-1-yl]-4-(1-methyltriazol-4-yl)-1,3-thiazol-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCN.CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C

DOS

IR

Vibrations