Geometry & MOs

Info

ID:

118009

PubChem CID:

50624177

Reduced:

ClFO5N6C33H42 (1)

Stoich.:

ABC5D6E33F42 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-260.42

Dipole, Da:

4.87

IP(EA), eV:

 -8.7(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-fluorophenyl)methylcarbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC)F

DOS

IR

Vibrations