Geometry & MOs

Info

ID:

114914

PubChem CID:

50501744

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

602.241974

ΔHf, kcal/mol:

-209.85

Dipole, Da:

3.53

IP(EA), eV:

 -8.9(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations