Geometry & MOs

Info

ID:	200151
PubChem CID:	79355270
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	245.064113
ΔH_f, kcal/mol:	-59.69
Dipole, Da:	3.39
IP(EA), eV:	-8.21(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-3-chlorophenyl)sulfanyl-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)SCCC(C)(C)O)N

DOS

IR

Vibrations