Geometry & MOs

Info

ID:

112813

PubChem CID:

50421210

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

577.250061

ΔHf, kcal/mol:

-228.56

Dipole, Da:

3.17

IP(EA), eV:

 -8.41(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations