Geometry & MOs

Info

ID:

106887

PubChem CID:

50180430

Reduced:

F2O4N5C31H39 (1)

Stoich.:

A2B4C5D31E39 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-258.41

Dipole, Da:

7.21

IP(EA), eV:

 -8.88(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations