Geometry & MOs

Info

ID:	392191
PubChem CID:	135013584
Reduced:	SO5C15H16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	333.118793
ΔH_f, kcal/mol:	-165.88
Dipole, Da:	10.93
IP(EA), eV:	-10.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]-2-(trifluoromethyl)pent-4-ynoate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)CS(=O)(=O)C1=CC=CC=C1)[C@H]2C=CC(=O)O2

DOS

IR

Vibrations