Geometry & MOs

Info

ID:

118709

PubChem CID:

50655214

Reduced:

Cl2O5N6C35H46 (1)

Stoich.:

A2B5C6D35E46 (1)

Weight, g/mol:

577.223802

ΔHf, kcal/mol:

-240.35

Dipole, Da:

5.15

IP(EA), eV:

 -8.7(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4CCCCC4

DOS

IR

Vibrations