Geometry & MOs

Info

ID:	396340
PubChem CID:	135028103
Reduced:	NSC8H16 (1)
Stoich.:	ABC8D16 (1)
Weight, g/mol:	159.108171
ΔH_f, kcal/mol:	20.35
Dipole, Da:	2.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757635
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1-methylazetidine-2-thiol

Drug info:

PubChemData

Smile

CC(C)(C)C1[CH-]C(N1C)S

DOS

IR

Vibrations