Geometry & MOs

Info

ID:

120285

PubChem CID:

50721368

Reduced:

Cl2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-145.65

Dipole, Da:

8.58

IP(EA), eV:

 -8.7(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations