Geometry & MOs

Info

ID:

114337

PubChem CID:

50479594

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

697.20752

ΔHf, kcal/mol:

-225.98

Dipole, Da:

4.55

IP(EA), eV:

 -8.85(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3F)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations