Geometry & MOs

Info

ID:	138756
PubChem CID:	52421512
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	320.101706
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	11.57
IP(EA), eV:	-8.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-thiophen-2-yl-N-[(1S)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)N(CC=C)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations