Geometry & MOs

Info

ID:

110822

PubChem CID:

50341167

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-229.2

Dipole, Da:

3.83

IP(EA), eV:

 -8.86(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-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(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations