Geometry & MOs

Info

ID:	197401
PubChem CID:	78962802
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	227.072848
ΔH_f, kcal/mol:	-86.17
Dipole, Da:	5.0
IP(EA), eV:	-8.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CN2CC[C@@H](C2)O

DOS

IR

Vibrations