Geometry & MOs

Info

ID:

107920

PubChem CID:

50224061

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-235.63

Dipole, Da:

8.8

IP(EA), eV:

 -8.27(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)C)C

DOS

IR

Vibrations