Geometry & MOs

Info

ID:

96975

PubChem CID:

50026696

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

702.352969

ΔHf, kcal/mol:

-190.14

Dipole, Da:

6.7

IP(EA), eV:

 -8.83(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations