Geometry & MOs

Info

ID:

119135

PubChem CID:

50670958

Reduced:

Cl2O5N6C34H42 (1)

Stoich.:

A2B5C6D34E42 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-220.89

Dipole, Da:

3.37

IP(EA), eV:

 -9.05(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N

DOS

IR

Vibrations