Geometry & MOs

Info

ID:

105561

PubChem CID:

50126396

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-235.87

Dipole, Da:

6.7

IP(EA), eV:

 -8.69(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC(C)C)C)F

DOS

IR

Vibrations