Geometry & MOs

Info

ID:

115997

PubChem CID:

50542604

Reduced:

Cl2O4N5C29H35 (1)

Stoich.:

A2B4C5D29E35 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-171.99

Dipole, Da:

5.34

IP(EA), eV:

 -9.07(-0.6)

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-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations