Geometry & MOs

Info

ID:	249189
PubChem CID:	103087576
Reduced:	N2O2S2C13H22 (1)
Stoich.:	A2B2C2D13E22 (1)
Weight, g/mol:	344.964077
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	5.18
IP(EA), eV:	-8.43(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCCCCSC)S(=O)(=O)NC

DOS

IR

Vibrations