Geometry & MOs

Info

ID:

107584

PubChem CID:

50209765

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-224.14

Dipole, Da:

9.78

IP(EA), eV:

 -8.98(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations