Geometry & MOs

Info

ID:

97045

PubChem CID:

50027265

Reduced:

ClFO5N6C40H50 (1)

Stoich.:

ABC5D6E40F50 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-247.3

Dipole, Da:

3.88

IP(EA), eV:

 -9.2(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C)Cl

DOS

IR

Vibrations