Geometry & MOs

Info

ID:

95010

PubChem CID:

50005720

Reduced:

FO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

537.295119

ΔHf, kcal/mol:

-211.85

Dipole, Da:

5.82

IP(EA), eV:

 -8.86(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C)F

DOS

IR

Vibrations