Geometry & MOs

Info

ID:

120130

PubChem CID:

50715019

Reduced:

ClF2O5N6C41H49 (1)

Stoich.:

AB2C5D6E41F49 (1)

Weight, g/mol:

776.346439

ΔHf, kcal/mol:

-302.23

Dipole, Da:

7.62

IP(EA), eV:

 -9.04(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-[(2-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations