Geometry & MOs

Info

ID:	355767
PubChem CID:	127290619
Reduced:	NS2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	393.081698
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	6.73
IP(EA), eV:	-8.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCSCC3

DOS

IR

Vibrations