Geometry & MOs

Info

ID:	349709
PubChem CID:	127275861
Reduced:	S2N3O3C12H19 (1)
Stoich.:	A2B3C3D12E19 (1)
Weight, g/mol:	393.118084
ΔH_f, kcal/mol:	-112.33
Dipole, Da:	7.39
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methylphenyl)sulfonyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)CCN2CCCS2(=O)=O

DOS

IR

Vibrations