Geometry & MOs

Info

ID:	299537
PubChem CID:	117687366
Reduced:	SN2O6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	324.13953
ΔH_f, kcal/mol:	-150.19
Dipole, Da:	6.8
IP(EA), eV:	-9.69(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(tert-butylsulfanylmethyl)-2-phenylmethoxycarbonylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@](CSC(C)(C)C)(C(=O)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N=C=O

DOS

IR

Vibrations