Geometry & MOs

Info

ID:

119919

PubChem CID:

50707091

Reduced:

ClN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-214.42

Dipole, Da:

4.74

IP(EA), eV:

 -8.7(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[1-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCCC6)OC

DOS

IR

Vibrations