Geometry & MOs

Info

ID:

111461

PubChem CID:

50368897

Reduced:

ClN6O6C30H37 (1)

Stoich.:

AB6C6D30E37 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-238.27

Dipole, Da:

7.74

IP(EA), eV:

 -8.85(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]-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)NCCC(=O)NC3=CC(=C(C=C3)C(=O)N)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations