Geometry & MOs

Info

ID:

97536

PubChem CID:

50032385

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-265.03

Dipole, Da:

11.54

IP(EA), eV:

 -8.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C)Cl

DOS

IR

Vibrations