Geometry & MOs

Info

ID:

94865

PubChem CID:

50004437

Reduced:

ClF3O4N5C30H37 (1)

Stoich.:

AB3C4D5E30F37 (1)

Weight, g/mol:

627.34207

ΔHf, kcal/mol:

-329.86

Dipole, Da:

6.33

IP(EA), eV:

 -8.87(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methoxy-4-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations