Geometry & MOs

Info

ID:

107762

PubChem CID:

50217972

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

784.356003

ΔHf, kcal/mol:

-205.22

Dipole, Da:

4.74

IP(EA), eV:

 -8.89(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)C

DOS

IR

Vibrations