Geometry & MOs

Info

ID:

96616

PubChem CID:

50022876

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-240.82

Dipole, Da:

5.84

IP(EA), eV:

 -9.17(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[2-(pyrrolidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations