Geometry & MOs

Info

ID:

114388

PubChem CID:

50481300

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-231.19

Dipole, Da:

8.75

IP(EA), eV:

 -8.84(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-6-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations