Geometry & MOs

Info

ID:

95690

PubChem CID:

50012309

Reduced:

BrFO4N5C27H33 (1)

Stoich.:

ABC4D5E27F33 (1)

Weight, g/mol:

561.256289

ΔHf, kcal/mol:

-192.02

Dipole, Da:

6.77

IP(EA), eV:

 -8.9(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations