Geometry & MOs

Info

ID:

117562

PubChem CID:

50607435

Reduced:

Cl2O5N6C39H52 (1)

Stoich.:

A2B5C6D39E52 (1)

Weight, g/mol:

742.301239

ΔHf, kcal/mol:

-243.62

Dipole, Da:

6.88

IP(EA), eV:

 -8.9(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[5-chloro-2-(morpholine-4-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCC(CC5)C

DOS

IR

Vibrations