Geometry & MOs

Info

ID:

110982

PubChem CID:

50347201

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-280.27

Dipole, Da:

9.9

IP(EA), eV:

 -8.82(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations