Geometry & MOs

Info

ID:	404286
PubChem CID:	135065752
Reduced:	NSO7C12H15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	-207.12
Dipole, Da:	5.41
IP(EA), eV:	-10.92(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylethyl 2-methyl-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)CS(=O)(=O)C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations