Geometry & MOs

Info

ID:	240832
PubChem CID:	93617736
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-66.2
Dipole, Da:	4.41
IP(EA), eV:	-8.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methoxy]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC[C@H]2C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations