Geometry & MOs

Info

ID:

96203

PubChem CID:

50019417

Reduced:

O5N6C39H56 (1)

Stoich.:

A5B6C39D56 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-240.05

Dipole, Da:

13.25

IP(EA), eV:

 -8.69(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-methyl-4-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC=C3C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations