Geometry & MOs

Info

ID:

117472

PubChem CID:

50603927

Reduced:

ClF2O3N4C26H31 (1)

Stoich.:

AB2C3D4E26F31 (1)

Weight, g/mol:

583.256147

ΔHf, kcal/mol:

-204.92

Dipole, Da:

10.41

IP(EA), eV:

 -8.89(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations