Geometry & MOs

Info

ID:	282253
PubChem CID:	103920129
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	-131.16
Dipole, Da:	1.85
IP(EA), eV:	-9.26(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=C(C(=CC=C1)O)C

DOS

IR

Vibrations