Geometry & MOs

Info

ID:

114307

PubChem CID:

50478366

Reduced:

F2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-254.21

Dipole, Da:

4.45

IP(EA), eV:

 -8.87(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-6-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations