Geometry & MOs

Info

ID:

106819

PubChem CID:

50177622

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-224.87

Dipole, Da:

4.22

IP(EA), eV:

 -9.18(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C)Cl

DOS

IR

Vibrations