Geometry & MOs

Info

ID:	123381
PubChem CID:	50844921
Reduced:	S2O3N5C23H35 (1)
Stoich.:	A2B3C5D23E35 (1)
Weight, g/mol:	496.080589
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	10.32
IP(EA), eV:	-8.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCNS(=O)(=O)C2=CN(C(=C2)C3=NC(=CS3)C)CC(=O)N4CCCCC4

DOS

IR

Vibrations