Geometry & MOs

Info

ID:

100648

PubChem CID:

50063395

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

651.285698

ΔHf, kcal/mol:

-250.13

Dipole, Da:

4.53

IP(EA), eV:

 -8.44(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(4-methoxybenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=C(C=C5)C)F)C)F

DOS

IR

Vibrations