Geometry & MOs

Info

ID:	406710
PubChem CID:	135078436
Reduced:	S2O4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	431.003869
ΔH_f, kcal/mol:	-104.77
Dipole, Da:	7.36
IP(EA), eV:	-9.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (2R)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CS(=O)(=O)C3=C2SC=C3)O

DOS

IR

Vibrations