Geometry & MOs

Info

ID:

114279

PubChem CID:

50477019

Reduced:

ClFN6O6C36H40 (1)

Stoich.:

ABC6D6E36F40 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-255.79

Dipole, Da:

9.31

IP(EA), eV:

 -8.89(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(diethylcarbamoyl)-2-methylphenyl]-1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]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)N4CCOCC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations