Geometry & MOs

Info

ID:

112533

PubChem CID:

50410728

Reduced:

ClO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

608.332233

ΔHf, kcal/mol:

-197.57

Dipole, Da:

7.62

IP(EA), eV:

 -8.66(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-methoxyanilino)-3-oxopropyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4C)Cl)C

DOS

IR

Vibrations