Geometry & MOs

Info

ID:

95724

PubChem CID:

50012941

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-158.28

Dipole, Da:

7.91

IP(EA), eV:

 -8.83(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(2,6-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N(C)C

DOS

IR

Vibrations