Geometry & MOs

Info

ID:	288508
PubChem CID:	104317893
Reduced:	NSO4C8H15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	197.087435
ΔH_f, kcal/mol:	-186.33
Dipole, Da:	4.76
IP(EA), eV:	-9.43(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminophenyl)sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC(CCSCC(C(=O)O)NC=O)O

DOS

IR

Vibrations