Geometry & MOs

Info

ID:	282259
PubChem CID:	103920235
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-97.12
Dipole, Da:	4.33
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]-2-(thian-4-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)N[C@H](CC)CO)C

DOS

IR

Vibrations