Geometry & MOs

Info

ID:

110937

PubChem CID:

50344761

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-219.53

Dipole, Da:

6.25

IP(EA), eV:

 -8.83(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3C)C(=O)N)C

DOS

IR

Vibrations