Geometry & MOs

Info

ID:	271809
PubChem CID:	103692919
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	367.070128
ΔH_f, kcal/mol:	-184.48
Dipole, Da:	5.48
IP(EA), eV:	-9.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenylmethoxycarbonylamino)-3-[2-(trifluoromethoxy)ethylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCSCC1=C(C=NC=C1)Cl)C(=O)O

DOS

IR

Vibrations