Geometry & MOs

Info

ID:	123317
PubChem CID:	50842200
Reduced:	ClS2O3N4C22H25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	472.160283
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	7.06
IP(EA), eV:	-9.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-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=C(C=C4)Cl

DOS

IR

Vibrations