Geometry & MOs

Info

ID:	149889
PubChem CID:	53789570
Reduced:	SN2O3C30H30 (1)
Stoich.:	AB2C3D30E30 (1)
Weight, g/mol:	255.077454
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	6.19
IP(EA), eV:	-8.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)C4=CC5=C(C=C4)[C@]6(CCC(=O)N([C@@H]6CC5)C)C

DOS

IR

Vibrations