Geometry & MOs

Info

ID:

107811

PubChem CID:

50219726

Reduced:

F3N6O6H37C38 (1)

Stoich.:

A3B6C6D37E38 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-304.58

Dipole, Da:

6.51

IP(EA), eV:

 -8.31(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-1-[1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations