Geometry & MOs

Info

ID:	240654
PubChem CID:	93616976
Reduced:	ClOSN4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	22.64
Dipole, Da:	5.71
IP(EA), eV:	-9.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-methylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1Cl)NC(=O)NC2=NN=CS2

DOS

IR

Vibrations