Geometry & MOs

Info

ID:

97385

PubChem CID:

50031051

Reduced:

F2O4N5C34H37 (1)

Stoich.:

A2B4C5D34E37 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-210.99

Dipole, Da:

12.28

IP(EA), eV:

 -8.9(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations