Geometry & MOs

Info

ID:

105550

PubChem CID:

50111264

Reduced:

F3O4N5C27H32 (1)

Stoich.:

A3B4C5D27E32 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-271.28

Dipole, Da:

8.31

IP(EA), eV:

 -8.79(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations