Geometry & MOs

Info

ID:

112103

PubChem CID:

50394828

Reduced:

FN6O6C40H51 (1)

Stoich.:

AB6C6D40E51 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-282.4

Dipole, Da:

5.36

IP(EA), eV:

 -8.56(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4OC)F)C

DOS

IR

Vibrations