Geometry & MOs

Info

ID:	34298
PubChem CID:	7890671
Reduced:	SN2O6C18H26 (1)
Stoich.:	AB2C6D18E26 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-252.32
Dipole, Da:	8.46
IP(EA), eV:	-9.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations