Geometry & MOs

Info

ID:	240831
PubChem CID:	93617735
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	4.16
IP(EA), eV:	-8.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations