Geometry & MOs

Info

ID:

115437

PubChem CID:

50522880

Reduced:

ClFO5N6C30H36 (1)

Stoich.:

ABC5D6E30F36 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-239.73

Dipole, Da:

9.25

IP(EA), eV:

 -8.84(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations