Geometry & MOs

Info

ID:	392362
PubChem CID:	135014730
Reduced:	SN4O7C15H24 (1)
Stoich.:	AB4C7D15E24 (1)
Weight, g/mol:	296.066029
ΔH_f, kcal/mol:	-254.44
Dipole, Da:	4.95
IP(EA), eV:	-9.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-phenyl-6-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@H]([C@@H]([C@@H](C1)NC(=O)OC(C)(C)C)OS(=O)(=O)C)N=[N+]=[N-]

DOS

IR

Vibrations