Geometry & MOs

Info

ID:

117257

PubChem CID:

50596018

Reduced:

ClF2O5N6C39H47 (1)

Stoich.:

AB2C5D6E39F47 (1)

Weight, g/mol:

702.306324

ΔHf, kcal/mol:

-296.21

Dipole, Da:

7.76

IP(EA), eV:

 -8.9(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-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=CC(=C(C=C3)F)NC(=O)CC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations