Geometry & MOs

Info

ID:	202535
PubChem CID:	79682766
Reduced:	BrSN2O4C10H11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	289.053942
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	4.31
IP(EA), eV:	-9.54(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)C2=NN=C(O2)CSCC(CO)O

DOS

IR

Vibrations