Geometry & MOs

Info

ID:

114369

PubChem CID:

50480610

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-221.46

Dipole, Da:

10.59

IP(EA), eV:

 -8.91(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations