Geometry & MOs

Info

ID:

94875

PubChem CID:

50004522

Reduced:

FO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-223.94

Dipole, Da:

8.39

IP(EA), eV:

 -8.86(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations