Geometry & MOs

Info

ID:

119591

PubChem CID:

50692063

Reduced:

Cl2N5O5C31H39 (1)

Stoich.:

A2B5C5D31E39 (1)

Weight, g/mol:

651.201525

ΔHf, kcal/mol:

-201.64

Dipole, Da:

6.26

IP(EA), eV:

 -9.24(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-chloro-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations