Geometry & MOs

Info

ID:

117579

PubChem CID:

50607841

Reduced:

Cl2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-201.4

Dipole, Da:

5.03

IP(EA), eV:

 -8.79(-0.8)

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-[3-methyl-1-[3-[(4-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)Cl)Cl

DOS

IR

Vibrations