Geometry & MOs

Info

ID:

112311

PubChem CID:

50401723

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

675.223545

ΔHf, kcal/mol:

-176.0

Dipole, Da:

7.33

IP(EA), eV:

 -8.94(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-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)NCCC(=O)NC3=CC(=CC=C3)Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations