Geometry & MOs

Info

ID:

118918

PubChem CID:

50663837

Reduced:

ClFO5N6C39H52 (1)

Stoich.:

ABC5D6E39F52 (1)

Weight, g/mol:

762.306324

ΔHf, kcal/mol:

-290.05

Dipole, Da:

2.83

IP(EA), eV:

 -8.61(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations