Geometry & MOs

Info

ID:

120486

PubChem CID:

50729815

Reduced:

ClF2O5N6C38H45 (1)

Stoich.:

AB2C5D6E38F45 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-290.54

Dipole, Da:

9.41

IP(EA), eV:

 -8.99(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)F

DOS

IR

Vibrations