Geometry & MOs

Info

ID:

117360

PubChem CID:

50599883

Reduced:

ClFN6O6C42H46 (1)

Stoich.:

ABC6D6E42F46 (1)

Weight, g/mol:

772.295152

ΔHf, kcal/mol:

-236.75

Dipole, Da:

10.7

IP(EA), eV:

 -8.57(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)OC)F)Cl

DOS

IR

Vibrations