Geometry & MOs

Info

ID:

114354

PubChem CID:

50480293

Reduced:

F3O5N6C41H43 (1)

Stoich.:

A3B5C6D41E43 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-284.26

Dipole, Da:

7.32

IP(EA), eV:

 -9.16(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-chlorophenyl)-1-[1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations