Geometry & MOs

Info

ID:

94484

PubChem CID:

50001958

Reduced:

F3N5O5C32H42 (1)

Stoich.:

A3B5C5D32E42 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-373.42

Dipole, Da:

6.69

IP(EA), eV:

 -8.99(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-chloro-5-(propanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations