Geometry & MOs

Info

ID:

125188

PubChem CID:

50914144

Reduced:

ClO2N5C26H42 (1)

Stoich.:

AB2C5D26E42 (1)

Weight, g/mol:

516.184762

ΔHf, kcal/mol:

-99.72

Dipole, Da:

7.53

IP(EA), eV:

 -8.62(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoroacetic acid;(1S,9S,10S)-5-[4-(trifluoromethyl)anilino]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)C3=CC=CC=C3Cl

DOS

IR

Vibrations