Geometry & MOs

Info

ID:

106121

PubChem CID:

50149956

Reduced:

F3O4N5C30H36 (1)

Stoich.:

A3B4C5D30E36 (1)

Weight, g/mol:

601.287589

ΔHf, kcal/mol:

-285.77

Dipole, Da:

4.17

IP(EA), eV:

 -8.9(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations