Geometry & MOs

Info

ID:

93993

PubChem CID:

49997958

Reduced:

ClF3O4N5C29H35 (1)

Stoich.:

AB3C4D5E29F35 (1)

Weight, g/mol:

537.295119

ΔHf, kcal/mol:

-329.71

Dipole, Da:

6.87

IP(EA), eV:

 -8.91(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations