Geometry & MOs

Info

ID:

117586

PubChem CID:

50608103

Reduced:

ClFO5N6C35H38 (1)

Stoich.:

ABC5D6E35F38 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-215.8

Dipole, Da:

11.75

IP(EA), eV:

 -8.88(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-methyl-4-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC)F

DOS

IR

Vibrations