Geometry & MOs

Info

ID:	49769
PubChem CID:	11533782
Reduced:	BrO4N6H21C23 (1)
Stoich.:	AB4C6D21E23 (1)
Weight, g/mol:	525.179679
ΔH_f, kcal/mol:	-33.93
Dipole, Da:	5.51
IP(EA), eV:	-9.99(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]cyclohex-2-en-1-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CC3=NC=NN3)NC(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations