Geometry & MOs

Info

ID:

116865

PubChem CID:

50578497

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-236.14

Dipole, Da:

11.36

IP(EA), eV:

 -9.07(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-(diethylcarbamoyl)-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations