Geometry & MOs

Info

ID:

104179

PubChem CID:

50096482

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

675.223545

ΔHf, kcal/mol:

-181.19

Dipole, Da:

6.58

IP(EA), eV:

 -8.65(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=CC=C4)Cl)C)F

DOS

IR

Vibrations