Geometry & MOs

Info

ID:

102984

PubChem CID:

50070294

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-208.16

Dipole, Da:

11.23

IP(EA), eV:

 -8.49(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-chloroanilino)-3-oxopropyl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)F

DOS

IR

Vibrations