Geometry & MOs

Info

ID:

101197

PubChem CID:

50064456

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-246.48

Dipole, Da:

6.45

IP(EA), eV:

 -8.51(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C(C)C)F

DOS

IR

Vibrations