Geometry & MOs

Info

ID:

114432

PubChem CID:

50482589

Reduced:

ClFO5N6C32H34 (1)

Stoich.:

ABC5D6E32F34 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-219.84

Dipole, Da:

5.44

IP(EA), eV:

 -9.02(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations