Geometry & MOs

Info

ID:

120533

PubChem CID:

50731928

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-180.51

Dipole, Da:

7.49

IP(EA), eV:

 -8.67(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[3-[(4-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations