Geometry & MOs

Info

ID:

95718

PubChem CID:

50012928

Reduced:

N3O3C20H26 (2)

Stoich.:

A3B3C20D26 (2)

Weight, g/mol:

698.379183

ΔHf, kcal/mol:

-233.22

Dipole, Da:

11.29

IP(EA), eV:

 -8.38(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC(=C4)C

DOS

IR

Vibrations