Geometry & MOs

Info

ID:

109058

PubChem CID:

50271001

Reduced:

FN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-248.36

Dipole, Da:

7.03

IP(EA), eV:

 -8.62(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methoxy-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)OC)C)F

DOS

IR

Vibrations