Geometry & MOs

Info

ID:

114755

PubChem CID:

50495635

Reduced:

ClF2O5N6C32H33 (1)

Stoich.:

AB2C5D6E32F33 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-251.09

Dipole, Da:

6.86

IP(EA), eV:

 -9.12(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-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)NCC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations