Geometry & MOs

Info

ID:	369093
PubChem CID:	127331252
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	0.81
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations