Geometry & MOs

Info

ID:

96505

PubChem CID:

50021788

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

689.239195

ΔHf, kcal/mol:

-177.54

Dipole, Da:

8.58

IP(EA), eV:

 -8.83(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations