Geometry & MOs

Info

ID:

120494

PubChem CID:

50730345

Reduced:

ClFN5O5C34H39 (1)

Stoich.:

ABC5D5E34F39 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-218.44

Dipole, Da:

4.96

IP(EA), eV:

 -8.8(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4F)OC

DOS

IR

Vibrations