Geometry & MOs

Info

ID:

117073

PubChem CID:

50588132

Reduced:

ClFN6O6C37H42 (1)

Stoich.:

ABC6D6E37F42 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-259.38

Dipole, Da:

13.0

IP(EA), eV:

 -8.95(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations