Geometry & MOs

Info

ID:	341423
PubChem CID:	127264116
Reduced:	NSO3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	280.0381
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	2.43
IP(EA), eV:	-8.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(trifluoromethoxy)phenyl]sulfanylbutanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=NOC2=C1CCSC3=CC=CC=C32

DOS

IR

Vibrations