Geometry & MOs

Info

ID:

96921

PubChem CID:

50025896

Reduced:

N5O6C34H49 (1)

Stoich.:

A5B6C34D49 (1)

Weight, g/mol:

732.381075

ΔHf, kcal/mol:

-240.77

Dipole, Da:

5.56

IP(EA), eV:

 -8.67(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations