Geometry & MOs

Info

ID:

109144

PubChem CID:

50274149

Reduced:

ClO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

651.23791

ΔHf, kcal/mol:

-147.59

Dipole, Da:

8.75

IP(EA), eV:

 -8.47(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4Cl)C

DOS

IR

Vibrations