Geometry & MOs

Info

ID:	240655
PubChem CID:	93616986
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	290.088912
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	3.53
IP(EA), eV:	-8.48(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-fluorophenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N2CCC[C@H]2C3=CSC=C3

DOS

IR

Vibrations