Geometry & MOs

Info

ID:	123316
PubChem CID:	50842199
Reduced:	ClS2O3N4C22H25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	492.105661
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	9.08
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-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)N3CCCCC3)S(=O)(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations