Geometry & MOs

Info

ID:

97938

PubChem CID:

50036913

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-233.1

Dipole, Da:

13.63

IP(EA), eV:

 -8.57(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C)C

DOS

IR

Vibrations