Geometry & MOs

Info

ID:	353348
PubChem CID:	127284677
Reduced:	ClSN2O3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	9.69
IP(EA), eV:	-9.04(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methylphenyl)sulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=C(C=C2)Cl)NC(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations