Geometry & MOs

Info

ID:

103221

PubChem CID:

50070568

Reduced:

FO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-197.62

Dipole, Da:

8.94

IP(EA), eV:

 -8.52(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)C

DOS

IR

Vibrations