Geometry & MOs

Info

ID:

116001

PubChem CID:

50542913

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-229.22

Dipole, Da:

3.71

IP(EA), eV:

 -9.01(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[4-(cyclohexanecarbonylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations