Geometry & MOs

Info

ID:

96183

PubChem CID:

50019346

Reduced:

ClFO5N6C40H50 (1)

Stoich.:

ABC5D6E40F50 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-257.97

Dipole, Da:

4.11

IP(EA), eV:

 -9.04(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=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)NCC4=CC=C(C=C4)F)C)Cl

DOS

IR

Vibrations