Geometry & MOs

Info

ID:

101683

PubChem CID:

50064955

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

656.312247

ΔHf, kcal/mol:

-222.78

Dipole, Da:

9.06

IP(EA), eV:

 -8.7(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NCC(C)C

DOS

IR

Vibrations