Geometry & MOs

Info

ID:

116910

PubChem CID:

50580706

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

688.254289

ΔHf, kcal/mol:

-251.47

Dipole, Da:

7.17

IP(EA), eV:

 -8.9(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations