Geometry & MOs

Info

ID:

98024

PubChem CID:

50038238

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

675.223545

ΔHf, kcal/mol:

-171.36

Dipole, Da:

11.79

IP(EA), eV:

 -8.95(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(trifluoromethyl)anilino]-3-oxopropyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations