Geometry & MOs

Info

ID:

114739

PubChem CID:

50494725

Reduced:

ClF2N5O5C33H36 (1)

Stoich.:

AB2C5D5E33F36 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-267.6

Dipole, Da:

9.44

IP(EA), eV:

 -8.92(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-(dimethylcarbamoyl)anilino]-3-oxopropyl]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)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations