Geometry & MOs

Info

ID:

111500

PubChem CID:

50370366

Reduced:

ClN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

623.287447

ΔHf, kcal/mol:

-160.0

Dipole, Da:

6.29

IP(EA), eV:

 -8.94(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations