Geometry & MOs

Info

ID:

118510

PubChem CID:

50644992

Reduced:

ClF2O4N5C29H34 (1)

Stoich.:

AB2C4D5E29F34 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-238.89

Dipole, Da:

7.08

IP(EA), eV:

 -9.07(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations