Geometry & MOs

Info

ID:

114877

PubChem CID:

50500673

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-208.15

Dipole, Da:

10.23

IP(EA), eV:

 -8.74(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)C)F)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations