Geometry & MOs

Info

ID:

117977

PubChem CID:

50622764

Reduced:

ClF3N5O5C26H29 (1)

Stoich.:

AB3C5D5E26F29 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-354.68

Dipole, Da:

5.61

IP(EA), eV:

 -9.2(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC(F)(F)F)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations