Geometry & MOs

Info

ID:	432163
PubChem CID:	135172295
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	217.150036
ΔH_f, kcal/mol:	-95.98
Dipole, Da:	3.46
IP(EA), eV:	-8.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3R)-3-amino-2-ethylthiolan-3-yl]-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

CC(C)[C@H]([C@@]1(C=CSC1O)CN)O

DOS

IR

Vibrations