Geometry & MOs

Info

ID:

119440

PubChem CID:

50685192

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

722.238638

ΔHf, kcal/mol:

-251.97

Dipole, Da:

8.05

IP(EA), eV:

 -8.6(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-chlorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)C

DOS

IR

Vibrations