Geometry & MOs

Info

ID:	123315
PubChem CID:	50842198
Reduced:	ClS2O3N4C20H21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	492.105661
ΔH_f, kcal/mol:	-58.18
Dipole, Da:	8.99
IP(EA), eV:	-8.71(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CN2CC(=O)N3CCCC3)S(=O)(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations