Geometry & MOs

Info

ID:

117771

PubChem CID:

50614801

Reduced:

Cl2O5N6C27H32 (1)

Stoich.:

A2B5C6D27E32 (1)

Weight, g/mol:

601.22226

ΔHf, kcal/mol:

-190.27

Dipole, Da:

3.3

IP(EA), eV:

 -9.06(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-chloro-5-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl

DOS

IR

Vibrations