Geometry & MOs

Info

ID:	288510
PubChem CID:	104317929
Reduced:	OSN2C9H14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	231.048463
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	2.12
IP(EA), eV:	-8.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-6-chlorophenyl)sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC(CCSC1=NC=C(C=C1)N)O

DOS

IR

Vibrations