Geometry & MOs

Info

ID:	348792
PubChem CID:	127274440
Reduced:	ClSO3N4C16H23 (1)
Stoich.:	ABC3D4E16F23 (1)
Weight, g/mol:	343.131425
ΔH_f, kcal/mol:	-108.86
Dipole, Da:	3.61
IP(EA), eV:	-9.17(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)Cl)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations