Geometry & MOs

Info

ID:

112309

PubChem CID:

50401721

Reduced:

ClFN5O5C34H39 (1)

Stoich.:

ABC5D5E34F39 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-223.37

Dipole, Da:

7.57

IP(EA), eV:

 -8.48(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)OC)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations