Geometry & MOs

Info

ID:	140216
PubChem CID:	52663532
Reduced:	SN2O4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	423.141676
ΔH_f, kcal/mol:	-141.38
Dipole, Da:	8.36
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC/C=C(/C)\C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)OC

DOS

IR

Vibrations