Geometry & MOs

Info

ID:

110369

PubChem CID:

50322460

Reduced:

F2O5N6C43H48 (1)

Stoich.:

A2B5C6D43E48 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-263.53

Dipole, Da:

8.62

IP(EA), eV:

 -8.76(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)F)C)C)F

DOS

IR

Vibrations