Geometry & MOs

Info

ID:

113090

PubChem CID:

50431051

Reduced:

ClO4F5N5C33H33 (1)

Stoich.:

AB4C5D5E33F33 (1)

Weight, g/mol:

675.24801

ΔHf, kcal/mol:

-385.16

Dipole, Da:

9.62

IP(EA), eV:

 -8.95(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[2-(trifluoromethoxy)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations