Geometry & MOs

Info

ID:

91558

PubChem CID:

49976874

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-252.77

Dipole, Da:

7.37

IP(EA), eV:

 -9.07(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations