Geometry & MOs

Info

ID:	179665
PubChem CID:	76518308
Reduced:	NSF2O7H17C20 (1)
Stoich.:	ABC2D7E17F20 (1)
Weight, g/mol:	417.088223
ΔH_f, kcal/mol:	-343.61
Dipole, Da:	6.07
IP(EA), eV:	-9.82(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(2-methoxycarbonyl-4-phenylphenoxy)carbonylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CSC(=O)OC1=C(C=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)OC)C(=O)O

DOS

IR

Vibrations